Publications

Notable Publications

Pillared Graphene: A New 3D Network Nanostructure for Enhanced Hydrogen Storage

Nano Letters 2008 8 (10), 3166-3170, DOI: 10.1021/nl801417w

Materials for hydrogen-based energy storage – past, recent progress and future outlook

Journal of Alloys and Compounds, Volume 827, 2020, DOI: 10.1016/j.jallcom.2019.153548.

Introducing artificial MOFs for improved machine learning predictions: Identification of top-performing materials for methane storage

J. Chem. Phys. 7 February 2022; 156 (5): 054103. DOI: 10.1063/5.0075994

Reticular Synthesis of HKUST-like tbo-MOFs with Enhanced CH4 Storage

Journal of the American Chemical Society 2016 138 (5), 1568-1574
DOI: 10.1021/jacs.5b11079

All Related Publications

2024
  1. Charalampos G Livas, Pantelis N Trikalitis, George E Froudakis, MOFSynth: A computational tool toward synthetic likelihood predictions of MOFs , Journal of Chemical Information and Modeling, Vol. 64, Issue 21, Pages 8193-8200 (2024)
  2. Antonios P Sarikas, Konstantinos Gkagkas, George E Froudakis, Gas adsorption meets geometric deep learning: points, set and match , Scientific Reports, Vol. 14, Issue 1, Pages 27360 (2024)
  3. Mozhgan Parsaei, Kamran Akhbari, Emmanuel Tylianakis, George E Froudakis, Jonathan M White, Efficient Gas Adsorption in MUT-11: Insights from Theoretical Calculations and GCMC Simulations , Crystal Growth & Design, Vol. 24, Issue 24, Pages 10299-10313 (2024)
  4. Javad Iskandarov, Shehzad Ahmed, George S Fanourgakis, Waleed Alameri, George E Froudakis, Georgios N Karanikolos, Predicting and optimizing CO2 foam performance for enhanced oil recovery: A machine learning approach to foam formulation focusing on apparent viscosity and interfacial tension , Marine and Petroleum Geology, Vol. 34, Issue 51, Pages 2409932107108 (2024)
  5. Edward Loukopoulos, Sergio Marugán‐Benito, Dionysios Raptis, Emmanuel Tylianakis, George E Froudakis, Andreas Mavrandonakis, Ana E Platero‐Prats, Chemically Tailored Metal‐Organic Frameworks for Enhanced Capture of Short‐and Long‐Chain Per‐and Polyfluoroalkyl Substances from Water, Advanced Functional Materials, 2409932 (2024)
  6. Javad Iskandarov, George S Fanourgakis, Shehzad Ahmed, Waleed Alameri, George E Froudakis, Georgios N Karanikolos, Machine Learning Prediction and Optimization of CO2 Foam Performance for Enhanced Oil Recovery and Carbon Sequestration: Effect of Surfactant Type and Operating Conditions, Geoenergy Science and Engineering, 213064 (2024)
  7. GK Stavroglou, E Tylianakis, George E Froudakis, Tailoring ammonia capture in MOFs and COFs: A multi‐scale and machine learning comprehensive investigation of functional group modification, ChemPhysChem 25 (7), e202300721 (2024)
  8. Antonios P Sarikas, George S Fanourgakis, Konstantinos Gkagkas, George E Froudakis, Comparison of machine learning approaches for the identification of top-performing materials for hydrogen storage, Sustainable Chemistry for the Environment 5 100056 (2024)
  9. Antonios P Sarikas, Konstantinos Gkagkas, George E Froudakis, Gas adsorption meets deep learning: voxelizing the potential energy surface of metal-organic frameworks, Scientific Reports 14 (1) 2242 (2024)
2023

  1. Saeideh Salimi, Kamran Akhbari, S Morteza F Farnia, Emmanuel Tylianakis, Georg E Froudakis, Jonathan M White, Solvent‐Directed Construction of a Nanoporous Metal‐Organic Framework with Potential in Selective Adsorption and Separation of Gas Mixtures Studied by Grand Canonical Monte Simulations, ChemPlusChem, 89 (1) (2023)
  2. Antonios P Sarikas, George S Fanourgakis, Emmanuel Tylianakis, Konstantinos Gkagkas, George E Froudakis, Comparison of Energy-Based Machine Learning Descriptors for Gas Adsorption, The Journal of Physical Chemistry C 127 (43) 20995-21005 (2023)
  3. Mozhgan Parsaei, Kamran Akhbari, Emmanuel Tylianakis, George E Froudakis, Computational Simulation of a Three-Dimensional Mg-based Metal–Organic Framework as Nanoporous Anticancer Drug Carrier, Crystal Growth & Design 23 (11) 8396-8406 (2023)
  4. Mozhgan Parsaei, Kamran Akhbari, Emmanuel Tylianakis, George E Froudakis, Effects of Fluorinated Functionalization of Linker on Quercetin Encapsulation, Release and Hela Cell Cytotoxicity of Cu‐Based MOFs as Smart pH‐Stimuli Nanocarriers, Chemistry–A European Journal
  5. Damien Monti, Nagaraj Patil, Ashley P Black, Dionysios Raptis, Andreas Mavrandonakis, George E Froudakis, Ibraheem Yousef, Nicolas Goujon, David Mecerreyes, Rebeca Marcilla, Alexandre Ponrouch, Polyimides as Promising Cathodes for Metal–Organic Batteries: A Comparison between Divalent (Ca2+, Mg2+) and Monovalent (Li+, Na+) Cations, ACS applied energy materials 6 (13) 7250-7257 (2023)
  6. Charalampos G Livas, Dionysios Raptis, Emmanuel Tylianakis, George E Froudakis, Multiscale Theoretical Study of Sulfur Dioxide (SO2) Adsorption in Metal–Organic Frameworks, Molecules 28 (7), 3122 (2023)
  7. Constantinos Tsangarakis, Ali Azmy, Christos Tampaxis, Nourdine Zibouche, Emmanuel Klontzas, Emmanuel Tylianakis, George E Froudakis, Theodore Steriotis, Ioannis Spanopoulos, Pantelis N Trikalitis, Water-Stable etb-MOFs for Methane and Carbon Dioxide Storage, Inorganic Chemistry 62 (14) 5496-5504 (2023)
  8. AP Sarikas, GS Fanourgakis, GE Froudakis, 3 Metal-organic frameworks in the age of machine learning, Reticular Chemistry and Applications: Metal-Organic Frameworks 43 (2023)
2022

  1. Mozhgan Parsaei, Kamran Akhbari, Emmanuel Tylianakis, George E Froudakis, Jonathan M White, Satoshi Kawata, Computational Study of Two Three-Dimensional Co (II)-Based Metal–Organic Frameworks as Quercetin Anticancer Drug Carriers, Crystal Growth & Design 22 (12), 7221-7233 (2022)
  2. Charalampos G Livas, Emmanuel Tylianakis, George E Froudakis, Enhancing NO Uptake in Metal-Organic Frameworks via Linker Functionalization. A Multi-Scale Theoretical Study, Chemistry 4 (4), 1300-1311 (2022)
  3. Linda Zhang, Mark D Allendorf, Rafael Balderas-Xicohténcatl, Darren P Broom, George S Fanourgakis, George E Froudakis, Thomas Gennett, Katherine E Hurst, Sanliang Ling, Chiara Milanese, Philip A Parilla, Daniele Pontiroli, Mauro Riccò, Sarah Shulda, Vitalie Stavila, Theodore A Steriotis, Colin J Webb, Matthew Witman, Michael Hirscher, Fundamentals of hydrogen storage in nanoporous materials, Progress in Energy 4 (4), 042013 (2022)
  4. Charalampos G Livas, Emmanuel Tylianakis, George E Froudakis, Enhancing of CO Uptake in Metal-Organic Frameworks by Linker Functionalization: A Multi-Scale Theoretical Study, Chemistry 4 (2), 603-614 (2022)
  5. Dionysios Raptis, Charalampos Livas, George Stavroglou, Rafaela Maria Giappa, Emmanuel Tylianakis, Taxiarchis Stergiannakos, George E Froudakis, Surface Modification Strategy for Enhanced NO2 Capture in Metal–Organic Frameworks, Molecules 27 (11), 3448 (2022)
  6. Rafaela Maria Giappa, Anastasios G Papadopoulos, Emmanuel Klontzas, Emmanuel Tylianakis, George E Froudakis, Linker Functionalization Strategy for Water Adsorption in Metal–Organic Frameworks, Molecules 27 (9), 2614 (2022)
  7. George S Fanourgakis, Konstantinos Gkagkas, George Froudakis, Introducing artificial MOFs for improved machine learning predictions: Identification of top-performing materials for methane storage, The Journal of Chemical Physics 156 (5), 054103 (2022)
  8. Javad Iskandarov, George S Fanourgakis, Shehzad Ahmed, Waleed Alameri, George E Froudakis, Georgios N Karanikolos, Data-driven prediction of in situ CO 2 foam strength for enhanced oil recovery and carbon sequestration, RSC advances 12 (55), 35703-35711 (2022).
2021

  1. Roya Karimi Alavijeh, Kamran Akhbari, Emmanuel Tylianakis, George E Froudakis, Jonathan M White, Two-Fold Homointerpenetrated Metal–Organic Framework with the Potential for Anticancer Drug Loading Using Computational Simulations, Crystal Growth & Design 21 (11), 6402-6410 (2021).
  2. Rafaela Maria Giappa, Emmanuel Tylianakis, Marco Di Gennaro, Konstantinos Gkagkas, George E Froudakis, A combination of multi-scale calculations with machine learning for investigating hydrogen storage in metal organic frameworks, International Journal of Hydrogen Energy 46 (54), 27612-27621 (2021).
  3. Giasemi K Angeli, Edward Loukopoulos, Konstantinos Kouvidis, Artemis Bosveli, Constantinos Tsangarakis, Emmanuel Tylianakis, George Froudakis, Pantelis N Trikalitis, Continuous breathing rare-earth MOFs based on hexanuclear clusters with gas trapping properties, Journal of the American Chemical Society 143 (27), 10250-10260 (2021).
  4. Craig E Aalseth, S Abdelhakim, P Agnes, R Ajaj, IFM Albuquerque, T Alexander, A Alici, AK Alton, P Amaudruz, F Ameli, J Anstey, P Antonioli, M Arba, S Arcelli, R Ardito, IJ Arnquist, P Arpaia, DM Asner, A Asunskis, M Ave, HO Back, V Barbaryan, A Barrado Olmedo, G Batignani, MG Bisogni, V Bocci, A Bondar, G Bonfini, W Bonivento, E Borisova, B Bottino, MG Boulay, R Bunker, S Bussino, A Buzulutskov, M Cadeddu, M Cadoni, A Caminata, N Canci, A Candela, C Cantini, M Caravati, M Cariello, F Carnesecchi, A Castellani, P Castello, P Cavalcante, D Cavazza, S Cavuoti, S Cebrian, JM Cela Ruiz, B Celano, R Cereseto, S Chashin, W Cheng, A Chepurnov, C Cicalò, L Cifarelli, M Citterio, F Coccetti, V Cocco, M Colocci, E Conde Vilda, L Consiglio, F Cossio, G Covone, P Crivelli, I D’antone, M D’incecco, MD Da Rocha Rolo, O Dadoun, M Daniel, S Davini, S De Cecco, M De Deo, A De Falco, D De Gruttola, G De Guido, G De Rosa, G Dellacasa, P Demontis, S De Pasquale, AV Derbin, A Devoto, F Di Eusanio, L Di Noto, G Di Pietro, P Di Stefano, C Dionisi, G Dolganov, F Dordei, M Downing, F Edalatfar, A Empl, M Fernandez Diaz, C Filip, G Fiorillo, K Fomenko, A Franceschi, D Franco, E Frolov, GE Froudakis, N Funicello, F Gabriele, A Gabrieli, C Galbiati, M Garbini, P Garcia Abia, D Gascón Fora, A Gendotti, C Ghiano, A Ghisi, P Giampa, RA Giampaolo, C Giganti, MA Giorgi, GK Giovanetti, ML Gligan, O Gorchakov, M Grab, R Graciani Diaz, M Grassi, JW Grate, A Grobov, M Gromov, M Guan, MBB Guerra, M Guerzoni, M Gulino, RK Haaland, BR Hackett, A Hallin, M Haranczyk, B Harrop, EW Hoppe, S Horikawa, B Hosseini, Fabrice Hubaut, P Humble, EV Hungerford, An Ianni, A Ilyasov, V Ippolito, C Jillings, K Keeter, CL Kendziora, I Kochanek, K Kondo, G Kopp, D Korablev, SiPM-matrix readout of two-phase argon detectors using electroluminescence in the visible and near infrared range, The European Physical Journal C 81, 1-17 (2021).
  5. Meghan Winterlich, Darragh McHugh, Evan O’Toole, Katerina Skordi, Ciaran O’Malley, Rana Sanii, Anastasios Tasiopoulos, Andrea Erxleben, Júlia Mayans, Liam Morrison, Patrick McArdle, Michael J Zaworotko, Emmanuel Tylianakis, George Froudakis, Constantina Papatriantafyllopoulou, Expanding the NUIG MOF family: synthesis and characterization of new MOFs for selective CO 2 adsorption, metal ion removal from aqueous systems, and drug delivery applications, Dalton Transactions 50 (20), 6997-7006 (2021).
2020

  1. Ioannis Skarmoutsos, Emmanuel N Koukaras, George E Froudakis, Guillaume Maurin, Emmanuel Klontzas, Confinement effects on the properties of polar hydrogen-bonded fluids: A showcase on methanol adsorbed in three-dimensional pillared graphene and carbon nanotube networks, The Journal of Physical Chemistry C 124 (42), 22959-22971 (2020).
  2. Michael Hirscher, Volodymyr A Yartys, Marcello Baricco, Jose Bellosta von Colbe, Didier Blanchard, Robert C Bowman Jr, Darren P Broom, Craig E Buckley, Fei Chang, Ping Chen, Young Whan Cho, Jean-Claude Crivello, Fermin Cuevas, William IF David, Petra E de Jongh, Roman V Denys, Martin Dornheim, Michael Felderhoff, Yaroslav Filinchuk, George E Froudakis, David M Grant, Evan MacA Gray, Bjørn C Hauback, Teng He, Terry D Humphries, Torben R Jensen, Sangryun Kim, Yoshitsugu Kojima, Michel Latroche, Hai-Wen Li, Mykhaylo V Lototskyy, Joshua W Makepeace, Kasper T Møller, Lubna Naheed, Peter Ngene, Dag Noréus, Magnus Moe Nygård, Shin-ichi Orimo, Mark Paskevicius, Luca Pasquini, Dorthe B Ravnsbæk, M Veronica Sofianos, Terrence J Udovic, Tejs Vegge, Gavin S Walker, Colin J Webb, Claudia Weidenthaler, Claudia Zlotea, Materials for hydrogen-based energy storage–past, recent progress and future outlook, Journal of Alloys and Compounds 827, 153548 (2020).
  3. Meghan Winterlich, Constantinos G Efthymiou, Wassillios Papawassiliou, Jose P Carvalho, Andrew J Pell, Julia Mayans, Albert Escuer, Michael P Carty, Patrick McArdle, Emmanuel Tylianakis, Liam Morrison, George Froudakis, Constantina Papatriantafyllopoulou, A biocompatible ZnNa 2-based metal–organic framework with high ibuprofen, nitric oxide and metal uptake capacity, Royal Society of Chemistry 1 (7), 2248-2260 (2020).
  4. Panagiotou N, Liatsou I, Pournara A, Angeli GK, Giappa RM, Tylianakis E, Manos MJ, Froudakis GE, Trikalitis PN, Pashalidis I and Tasiopoulos AJ, Water-stable 2-D Zr MOFs with exceptional UO22+ sorption capability, JOURNAL OF MATERIALS CHEMISTRY A 8 (4), 1849-1857 (2020).
  5. Fanourgakis GS, Gkagkas K, Tylianakis E and Froudakis GE, A Universal Machine Learning Algorithm for Large-Scale Screening of Materials, JOURNAL OF THE AMERICAN CHEMICAL SOCIETY 142 (8), 3814-3822 (2020).
  6. Hirscher M, Yartys VA, Baricco M, von Colbe JB, Blanchard D, Bowman RC, Broom DP, Buckley CE, Chang F, Chen P, Cho YW, Crivello JC, Cuevas F, David WIF, de Jongh PE, Denys RV, Dornheim M, Felderhoff M, Filinchuk Y, Froudakis GE, Grant DM, Gray EM, Hauback BC, He T, Humphries TD, Jensen TR, Kim S, Kojima Y, Latroche M, Li HW, Lototskyy MV, Makepeace JW, Moller KT, Naheed L, Ngene P, Noreus D, Nygard MM, Orimo SI, Paskevicius M, Pasquini L, Ravnsbaek DB, Sofianos MV, Udovic TJ, Vegge T, Walker GS, Webb CJ, Weidenthaler C and Zlotea C, Materials for hydrogen-based energy storage – past, recent progress and future outlook, JOURNAL OF ALLOYS AND COMPOUNDS 827 153548 (2020).
  7. Fanourgakis GS, Gkagkas K, Tylianakis E and Froudakis GE, A Generic Machine Learning Algorithm for the Prediction of Gas Adsorption in Nanoporous Materials, JOURNAL OF PHYSICAL CHEMISTRY C 124 (13), 7117-7126 (2020).
  8. Tsamardinos I, Fanourgakis GS, Greasidou E, Klontzas E, Gkagkas K and Froudakis GE, An Automated Machine Learning architecture for the accelerated prediction of Metal-Organic Frameworks performance in energy and environmental applications, MICROPOROUS AND MESOPOROUS MATERIALS 300 110160 (2020).
  9. Aalseth CE, Abdelhakim S, Acerbi F, Agnes P, Ajaj R, Albuquerque IFM, Alexander T, Alici A, Alton AK, Amaudruz P, Ameli F, Anstey J, Antonioli P, Arba M, Arcelli S, Ardito R, Arnquist IJ, Arpaia P, Asner DM, Asunskis A, Ave M, Back HO, Barbaryan V, Olmedo AB, Batignani G, Bisogni MG, Bocci V, Bondar A, Bonfini G, Bonivento W, Borisova E, Bottino B, Boulay MG, Bunker R, Bussino S, Buzulutskov A, Cadeddu M, Cadoni M, Caminata A, Canci N, Candela A, Cantini C, Caravati M, Cariello M, Carnesecchi F, Carpinelli M, Castellani A, Castello P, Catalanotti S, Cataudella V, Cavalcante P, Cavazza D, Cavuoti S, Cebrian S, Ruiz JMC, Celano B, Cereseto R, Cheng W, Chepurnov A, Cicalo C, Cifarelli L, Citterio M, Coccetti F, Cocco AG, Cocco V, Colocci M, Consiglio L, Cossio F, Covone G, Crivelli P, D’Antone I, D’Incecco M, D’Urso D, Rolo MDR, Dadoun O, Daniel M, Davini S, De Candia A, De Cecco S, De Deo M, De Falco A, De Filippis G, De Gruttola D, De Guido G, De Rosa G, Dellacasa G, Demontis P, DePaquale S, Derbin AV, Devoto A, Di Eusanio F, Di Noto L, Di Pietro G, Di Stefano P, Dionisi C, Dolganov G, Dordei F, Downing M, Edalatfar F, Empl A, Diaz MF, Ferri A, Filip C, Fiorillo G, Fomenko K, Franceschi A, Franco D, Froudakis GE, Gabriele F, Gabrieli A, Galbiati C, Garbini M, Abia PG, Fora DG, Gendotti A, Ghiano C, Ghisi A, Giagu S, Giampa P, Giampaolo RA, Giganti C, Giorgi MA, Giovanetti GK, Gligan ML, Gola A, Gorchakov O, Grab M, Diaz RG, Granato F, Grassi M, Grate JW, Grigoriev GY, Grobov A, Gromov M, Guan M, Guerra MBB, Guerzoni M, Gulino M, Haaland RK, Hackett BR, Hallin A, Harrop B, Hoppe EW, Horikawa S, Hosseini B, Hubaut F, Humble P, Hungerford EV, Ianni A, Ilyasov A, Ippolito V, Jillings C, Keeter K, Kendziora CL, Kim S, Kochanek I, Kondo K, Kopp G, Korablev D, Korga G, Kubankin A, Kugathasan R, Kuss M, Kuzniak M, La Commara M, La Delfa L, Lai M, Langrock S, Lebois M, Lehnert B, Levashko N, Li X, Liqiang Q, Lissia M, Lodi GU, Longo G, Manzano RL, Lussana R, Luzzi L, Machado AA, Machulin IN, Mandarano A, Mapelli L, Marcante M, Margotti A, Mari SM, Mariani M, Maricic J, Marinelli M, Marras D, Martinez M, Morales JJM, Rojas ADM, Martoff CJ, Mascia M, Mason J, Masoni A, Mazzi A, McDonald AB, Messina A, Meyers PD, Miletic T, Milincic R, Moggi A, Moioli S, Monroe J, Morrocchi M, Mroz T, Mu W, Muratova VN, Murphy S, Muscas C, Musico P, Nania R, Napolitano T, Agasson AN, Nessi M, Nikulin I, Oleinik A, Oleynikov V, Orsini M, Ortica F, Pagani L, Pallavicini M, Palmas S, Pandola L, Pantic E, Paoloni E, Paternoster G, Pazzona F, Peeters S, Pegoraro PA, Pelczar K, Pellegrini LA, Pellegrino C, Pelliccia N, Perotti F, Pesudo V, Picciau E, Piemonte C, Pietropaolo F, Pocar A, Pollmann TR, Portaluppi D, Poudel SS, Pralavorio P, Price D, Radics B, Raffaelli F, Ragusa F, Razeti M, Razeto A, Regazzoni V, Regenfus C, Renshaw AL, Rescia S, Rescigno M, Retiere F, Rignanese LP, Rivetti A, Romani A, Romero L, Rossi N, Rubbia A, Sablone D, Sala P, Salatino P, Samoylov O, Garcia ES, Sanfilippo S, Sant M, Santone D, Santorelli R, Savarese C, Scapparone E, Schlitzer B, Scioli G, Segreto E, Seifert A, Semenov DA, Shchagin A, Sheshukov A, Siddhanta S, Simeone M, Singh PN, Skensved P, Skorokhvatov MD, Smirnov O, Sobrero G, Sokolov A, Sotnikov A, Stainforth R, Steri A, Stracka S, Strickland V, Suffritti GB, Sulis S, Suvorov Y, Szelc AM, Tartaglia R, Testera G, Thorpe T, Tonazzo A, Tosi A, Tuveri M, Unzhakov EV, Usai G, Vacca A, Vazquez-Jauregui E, Verducci M, Viant T, Viel S, Villa F, Vishneva A, Vogelaar RB, Wada M, Wahl J, Walding JJ, Wang H, Wang Y, Westerdale S, Wheadon RJ, Williams R, Wilson J, Wojcik M, Wojcik M, Wu S, Xiao X, Yang C, Ye Z, Zuffa M and Zuzel G, Design and construction of a new detector to measure ultra-low radioactive-isotope contamination of argon, JOURNAL OF INSTRUMENTATION 15 (2), P02024 (2020).
  10. Fanourgakis GS, Gkagkas K, Tylianakis E and Froudakis GE, Fast Screening of Large Databases for Top Performing Nanomaterials Using a Self-Consistent, Machine Learning Based Approach, JOURNAL OF PHYSICAL CHEMISTRY C 124 (36), 19639-19648 (2020).
  11. Skarmoutsos I, Koukaras EN, Galiotis C, Froudakis GE and Klontzas E, Porous carbon nanotube networks and pillared graphene materials exhibiting high SF6 adsorption uptake and separation selectivity of SF6/N-2 fluid mixtures: A comparative molecular simulation study, MICROPOROUS AND MESOPOROUS MATERIALS 307 110464 (2020).
2019
  1. Broom DP, Webb CJ, Fanourgakis GS, Froudakis GE, Trikalitis PN and Hirscher M, Concepts for improving hydrogen storage in nanoporous materials, INTERNATIONAL JOURNAL OF HYDROGEN ENERGY 44 (15), 7768-7779 (2019).
  2. Fanourgakis GS, Gkagkas K, Tylianakis E, Klontzas E and Froudakis GE, A Robust Machine Learning Algorithm for the Prediction of Methane Adsorption in Nanoporous Materials, JOURNAL OF PHYSICAL CHEMISTRY A 123 (28), 6080-6087 (2019).
  3. Klontzas E, Tylianakis E, Varshney V, Roy AK and Froudakis GE, Organically interconnected graphene flakes: A flexible 3-D material with tunable electronic bandgap, SCIENTIFIC REPORTS 9 13676 (2019).
Previous years
  1. Aalseth CE, Acerbi F, Agnes P, Albuquerque IFM, Alexander T, Alici A, Alton AK, Antonioli P, Arcelli S, Ardito R, Arnquist IJ, Asner DM, Ave M, Back HO, Olmedo AIB, Batignani G, Bertoldo E, Bettarini S, Bisogni MG, Bocci V, Bondar A, Bonfini G, Bonivento W, Bossa M, Bottino B, Boulay M, Bunker R, Bussino S, Buzulutskov A, Cadeddu M, Cadoni M, Caminata A, Canci N, Candela A, Cantini C, Caravati M, Cariello M, Carlini M, Carpinelli M, Castellani A, Catalanotti S, Cataudella V, Cavalcante P, Cavuoti S, Cereseto R, Chepurnov A, Cicalo C, Cifarelli L, Citterio M, Cocco AG, Colocci M, Corgiolu S, Covone G, Crivelli P, D’Antone I, D’Incecco M, D’Urso D, Rolo MDDR, Daniel M, Davini S, De Candia A, De Cecco S, De Deo M, De Filippis G, De Guido G, De Rosa G, Dellacasa G, Della Valle M, Demontis P, Derbin A, Devoto A, Di Eusanio F, Di Pietro G, Dionisi C, Dolgov A, Dormia I, Dussoni S, Empl A, Diaz MF, Ferri A, Filip C, Fiorillo G, Fomenko K, Franco D, Froudakis GE, Gabriele F, Gabrieli A, Galbiati C, Abia PG, Gendotti A, Ghisi A, Giagu S, Giampa P, Gibertoni G, Giganti C, Giorgi MA, Giovanetti GK, Gligan ML, Gola A, Gorchakov O, Goretti AM, Granato F, Grassi M, Grate JW, Grigoriev GY, Gromov M, Guan M, Guerra MBB, Guerzoni M, Gulino M, Haaland RK, Hallin A, Harrop B, Hoppe EW, Horikawa S, Hosseini B, Hughes D, Humble P, Hungerford EV, Ianni A, Jillings C, Johnson TN, Keeter K, Kendziora CL, Kim S, Koh G, Korablev D, Korga G, Kubankin A, Kuss M, Kuzniak M, La Commara M, Lehnert B, Li X, Lissia M, Lodi GU, Loer B, Longo G, Loverre P, Lussana R, Luzzi L, Ma Y, Machado AA, Machulin IN, Mandarano A, Mapelli L, Marcante M, Margotti A, Mari SM, Mariani M, Maricic J, Martoff CJ, Mascia M, Mayer M, McDonald AB, Messina A, Meyers PD, Milincic R, Moggi A, Moioli S, Monroe J, Monte A, Morrocchi M, Mount BJ, Mu W, Muratova VN, Murphy S, Musico P, Nania R, Agasson AN, Nikulin I, Nosov V, Nozdrina AO, Nurakhov NN, Oleinik A, Oleynikov V, Orsini M, Ortica F, Pagani L, Pallavicini M, Palmas S, Pandola L, Pantic E, Paoloni E, Paternoster G, Pavletcov V, Pazzona F, Peeters S, Pelczar K, Pellegrini LA, Pelliccia N, Perotti F, Perruzza R, Pesudo V, Piemonte C, Pilo F, Pocar A, Pollmann T, Portaluppi D, Pugachev DA, Qian H, Radics B, Raffaelli F, Ragusa F, Razeti M, Razeto A, Regazzoni V, Regenfus C, Reinhold B, Renshaw AL, Rescigno M, Retiere F, Riffard Q, Rivetti A, Rizzardini S, Romani A, Romero L, Rossi B, Rossi N, Rubbia A, Sablone D, Salatino P, Samoylov O, Garcia ES, Sands W, Sanfilippo S, Sant M, Santorelli R, Savarese C, Scapparone E, Schlitzer B, Scioli G, Segreto E, Seifert A, Semenov DA, Shchagin A, Shekhtman L, Shemyakina E, Sheshukov A, Simeone M, Singh PN, Skensved P, Skorokhvatov MD, Smirnov O, Sobrero G, Sokolov A, Sotnikov A, Speziale F, Stainforth R, Stanford C, Suffritti GB, Suvorov Y, Tartaglia R, Testera G, Tonazzo A, Tosi A, Trinchese P, Unzhakov EV, Vacca A, Vazquez-Jauregui E, Verducci M, Viant T, Villa F, Vishneva A, Vogelaar B, Wada M, Wahl J, Walding J, Wang H, Wang Y, Watson AW, Westerdale S, Williams R, Wojcik MM, Wu S, Xiang X, Xiao X, Yang C, Ye Z, de Llano AY, Zappa F, Zappala G, Zhu C, Zichichi A, Zullo M, Zullo A and Zuzel G, DarkSide-20k: A 20 tonne two-phase LAr TPC for direct dark matter detection at LNGS, EUROPEAN PHYSICAL JOURNAL PLUS 133 (3), 131 (2018).
  2. Kotzabasaki M and Froudakis GE, Review of computer simulations on anti-cancer drug delivery in MOFs, INORGANIC CHEMISTRY FRONTIERS 5 (6), 1255-1272 (2018).
  3. Bottino B, Aalseth CE, Acconcia G, Acerbi F, Agnes P, Agostino L, Albuquerque IFM, Alexander T, Alton A, Ampudia P, Ardito R, Arisaka K, Arnquist IJ, Asner DM, Back HO, Baldin B, Batignani G, Biery K, Bisogni MG, Bocci V, Bondar A, Bonfini G, Bonivento W, Bossa M, Brigatti A, Brodsky J, Budano F, Bunker R, Bussino S, Buttafava M, Buzulutskov A, Cadeddu M, Cadoni M, Calandri N, Calaprice F, Calvo J, Campajola L, Canci N, Candela A, Cantini C, Cao H, Caravati M, Cariello M, Carlini M, Carpinelli M, Castellani A, Catalanotti S, Cavalcante P, Chepurnov A, Cicalo C, Citterio M, Cocco AG, Corgiolu S, Covone G, Crivelli P, D’Angelo D, D’Incecco M, Daniel M, Davini S, De Cecco S, De Deo M, De Guido G, De Vincenzi M, Demontis P, Derbin A, Devoto A, Di Eusanio F, Di Pietro G, Dionisi C, Dolgov A, Dromia I, Dussoni S, Edkins E, Empl A, Fan A, Ferri A, Filip CO, Fiorillo G, Fomenko K, Forster G, Franco D, Froudakis GE, Gabriele F, Gabrieli A, Galbiati C, Gendotti A, Ghioni M, Ghisi A, Giagu S, Gibertoni G, Giganti C, Giorgi M, Giovannetti GK, Gligan ML, Gola A, Goretti A, Granato F, Grassi M, Grate JW, Gromov M, Guan M, Guardincerri Y, Gulinatti A, Haaland RK, Hackett B, Harrop B, Herner K, Hoppe EW, Horikawa S, Hungerford E, Ianni A, Ianni A, Ivashchuk O, James I, Johnson TN, Jollet C, Keeter K, Kendziora C, Kobychev V, Koh G, Korablev D, Korga G, Kubankin A, Kuss MW, Lissia M, Li X, Lodi GU, Lombardi P, Longo G, Loverre P, Luitz S, Lussana R, Luzzi L, Ma Y, Machado AA, Machulin I, Mais L, Mandarano A, Mapelli L, Marcante M, Mari S, Mariani M, Maricic J, Marinelli M, Marini L, Martoff CJ, Mascia M, Meregaglia A, Meyers PD, Miletic T, Milincic R, Miller JD, Moioli S, Monasterio S, Montanari D, Monte A, Montuschi M, Monzani ME, Morrocchi M, Mosteiro P, Mount B, Mu W, Muratova VN, Murphy S, Musico P, Napolitano J, Nelson A, Nosov V, Nurakhov NN, Odrowski S, Oleinik A, Orsini M, Ortica F, Pagani L, Pallavicini M, Palmas S, Pantic E, Paoloni E, Parmeggiano S, Paternoster G, Pazzona F, Pelczar K, Pellegrini LA, Pelliccia N, Perasso S, Peronio P, Perotti F, Perruzza R, Piemonte C, Pilo F, Pocar A, Pordes S, Pugachev D, Qian H, Radics B, Randle K, Ranucci G, Razeti M, Razeto A, Rech I, Regazzoni V, Regenfus C, Reinhold B, Renshaw A, Rescigno M, Ricotti M, Riffard Q, Rizzardini S, Romani A, Romero L, Rossi B, Rossi N, Rountree D, Rubbia A, Ruggeri A, Sablone D, Saggese P, Salatino P, Salemme L, Sands W, Sangiorgio S, Sant M, Santorelli R, Sanzaro M, Savarese C, Sechi E, Segreto E, Semenov D, Shchagin A, Shekhtman L, Shemyakina E, Shields E, Simeone M, Singh PN, Skorokhvatov M, Smallcomb M, Smirnov O, Sokolov A, Sotnikov A, Stanford C, Suffritti GB, Suvorov Y, Tamborini D, Tartaglia R, Tatarowicz J, Testera G, Tonazzo A, Tosi A, Trinchese P, Unzhakov E, Vacca A, Verducci M, Viant T, Villa F, Vishneva A, Vogelaar B, Wada M, Walker S, Wang H, Wang Y, Watson A, Westerdale S, Wilhelmi J, Wojcik M, Wu S, Xiang X, Xu J, Yang C, Yoo J, Zappa F, Zappala G, Zavatarelli S, Zec A, Zhong W, Zhu C, Zullo A, Zullo M and Zuzel G, The DarkSide experiment, NUOVO CIMENTO C-COLLOQUIA AND COMMUNICATIONS IN PHYSICS 40 (1), 52 (2017).
  4. Kotzabasaki M, Galdadas I, Tylianakis E, Klontzas E, Cournia Z and Froudakis GE, Multiscale simulations reveal IRMOF-74-III as a potent drug carrier for gemcitabine delivery, JOURNAL OF MATERIALS CHEMISTRY B 5 (18), 3277-3282 (2017).
  5. Spanopoulos I, Tsangarakis C, Barnett S, Nowell H, Klontzas E, Froudakis GE and Trikalitis PN, Directed assembly of a high surface area 2D metal-organic framework displaying the augmented “kagome dual” (kgd-a) layered topology with high H-2 and CO2 uptake, INORGANIC CHEMISTRY FRONTIERS 4 (5), 825-832 (2017).
  6. Carneado S, Lopez-Sanchez JF, Sahuquillo A, Klontzas E, Froudakis GE and Pergantis SA, Antimony speciation in spirits stored in PET bottles: identification of a novel antimony complex, JOURNAL OF ANALYTICAL ATOMIC SPECTROMETRY 32 (6), 1109-1118 (2017).
  7. Kotzabasaki M, Tylianakis E, Klontzas E and Froudakis GE, OH-functionalization strategy in Metal-Organic Frameworks for drug delivery, CHEMICAL PHYSICS LETTERS 685 114-118 (2017).
  8. Aalseth CE, Acerbi F, Agnes P, Albuquerque IFM, Alexander T, Alici A, Alton AK, Ampudia P, Antonioli P, Arcelli S, Ardito R, Arnquist IJ, Asner DM, Back HO, Batignani G, Bertoldo E, Bettarini S, Bisognim MG, Bocci V, Bondar A, Bonfini G, Bonivento W, Bossa M, Bottino B, Bunker R, Bussino S, Buzulutskov A, Cadeddu M, Cadoni M, Caminata A, Canci N, Candela A, Cantini C, Caravati M, Cariello M, Carlini M, Carpinelli M, Castellani A, Catalanotti S, Cataudella V, Cavalcante P, Cereseto R, Chen Y, Chepurnov A, Chiavassa A, Cicalo C, Cifarelli L, Citterio M, Cocco AG, Coiocci M, Corgiolu S, Covone G, Crivelli P, D’Antone I, D’Incecco M, Rolo MDD, Daniel M, Davini S, De Candia A, De Cecco S, De Deo M, De Filippis G, De Guido G, De Rosa G, Dellacasa G, Demontis P, Derbin AV, Devoto A, Di Eusanio F, Di Pietras G, Dionisi C, Dolgov A, Dormia I, Dussoni S, Empl A, Ferri A, Filip C, Fiorillo G, Fomenko K, Franco D, Froudakis GE, Gabriele F, Gabrieli A, Galbiati C, Abia PG, Gendotti A, Ghisi A, Giagu S, Gibertoni G, Giganti C, Giorgi M, Giovanetti GK, Gligan ML, Gola A, Gorchakov O, Goretti AM, Granata F, Grassi M, Grate JW, Grigoriev GY, Gromov M, Guan M, Guerra MBB, Guerzoni M, Gulino M, Haaland RK, Harrop B, Hoppe EW, Horikawa S, Hosseini B, Hughes D, Humble P, Hungerford EV, Ianni A, Cabre SJ, Johnson TN, Keeter K, Kendziora CL, Kim S, Koh G, Korablev D, Korga G, Kubankin A, Kugathasa R, Kuss M, Li X, Lissia M, Lodi GU, Loer B, Longo G, Lussana R, Luzzi L, Ma Y, Machado AA, Machulin IN, Mais L, Mandarano A, Mapelli L, Marcante M, Margotti A, Mari SM, Mariani M, Maricic J, Marinelli M, Marras D, Martoff CJ, Mascia M, Messina A, Meyers PD, Milincic R, Moggi A, Moioli S, Monasterio S, Monroe J, Monte A, Morrocchi M, Mu W, Muratova VN, Murphy S, Musico P, Nania R, Napolitano J, Agasson AN, Nikulin I, Nosov V, Nozdrina AO, Nurakhov NN, Oleinik A, Oleynikov V, Orsini M, Ortica F, Pagani L, Pallavicini M, Palmas S, Pandola L, Pantie E, Paoloni E, Paternoster G, Pavletcov V, Pazzona F, PeIczar K, Pellegrini LA, Pelliccia N, Perottik F, Perruzza R, Piemonte C, Pilo F, Pocar A, Portaluppi D, Poudel SS, Pugachev DA, Qian H, Radics B, Raffaelli F, Ragusa F, Randle K, Razeti M, Razeto A, Regazzoni V, Regenfus C, Reinhold B, Renshaw AL, Reseigno M, Riffard Q, Rivetti A, Romani A, Romero L, Rossi B, Rossi N, Rubbia A, Sablone D, Salatino P, Samoylov O, Sands W, Sant M, Santorelli R, Savarese C, Scapparone E, Schlitzer B, Scioli G, Sechi E, Segreto E, Seifert A, Semenov DA, Serci S, Shchagin A, Shekhtman L, Shemyakina E, Sheshukov A, Simeone M, Singh PN, Skorokhvatov MD, Smirnov O, Sobrero G, Sokolov A, Sotnikov A, Stanford C, Suffritti GB, Suvorov Y, Tartaglia R, Testera G, Tonazzo A, Tosib A, Trinchese P, Unzhakov EV, Vacca A, Verducci M, Viant T, Villa F, Vishneva A, Vogelaar B, Wada M, Wahl J, Walkera S, Wang H, Wang Y, Watson AW, Westerdale S, Wilhelmi J, Williams R, Wojcik MM, Wu S, Xiang X, Xiao X, Yang C, Ye Z, Zappa F, Zappala G, Zhu C, Zichichi A and Zuzel G, Cryogenic Characterization of FBK RGB-HD SiPMs, JOURNAL OF INSTRUMENTATION 12 P09030 (2017).
  9. Angeli GK, Sartsidou C, Vlachaki S, Spanopoulos I, Tsangarakis C, Kourtellaris A, Klontzas E, Froudakis GE, Tasiopoulos A and Trikalitis PN, Reticular Chemistry and the Discovery of a New Family of Rare Earth (4,8)-Connected Metal-Organic Frameworks with csq Topology Based on RE4(mu(3)-O)(2)(COO)(8) Clusters, ACS APPLIED MATERIALS & INTERFACES 9 (51), 44560-44566 (2017).
  10. Borboudakis G, Stergiannakos T, Frysali M, Klontzas E, Tsamardinos I and Froudakis GE, Chemically intuited, large-scale screening of MOFs by machine learning techniques, NPJ COMPUTATIONAL MATERIALS 3 40 (2017).
  11. Borboudakis G, Stergiannakos T, Frysali M, Klontzas E, Tsamardinos I and Froudakis GE, Chemically intuited, large-scale screening of MOFs by machine learning techniques (vol 3, 2017), NPJ COMPUTATIONAL MATERIALS 3 47 (2017).
  12. Spanopoulos I, Tsangarakis C, Klontzas E, Tylianakis E, Froudakis GE, Adil K, Belmabkhout Y, Eddaoudi M and Trikalitis PN, Reticular Synthesis of HKUST-like tbo-MOFs with Enhanced CH4 Storage, JOURNAL OF THE AMERICAN CHEMICAL SOCIETY 138 (5), 1568-1574 (2016).
  13. Broom DP, Webb CJ, Hurst KE, Parilla PA, Gennett T, Brown CM, Zacharia R, Tylianakis E, Klontzas E, Froudakis GE, Steriotis TA, Trikalitis PN, Anton DL, Hardy B, Tamburello D, Corgnale C, van Hassel BA, Cossement D, Chahine R and Hirscher M, Outlook and challenges for hydrogen storage in nanoporous materials, APPLIED PHYSICS A-MATERIALS SCIENCE & PROCESSING 122 (3), 151 (2016).
  14. Skarmoutsos I, Tamiolakis G and Froudakis GE, Highly selective separation and adsorption-induced phase transition of SF6-N-2 fluid mixtures in three-dimensional carbon nanotube networks, JOURNAL OF SUPERCRITICAL FLUIDS 113 89-95 (2016).
  15. Frysali MG, Klontzas E, Tylianakis E and Froudakis GE, Tuning the interaction strength and the adsorption of CO2 in metal organic frameworks by functionalization of the organic linkers, MICROPOROUS AND MESOPOROUS MATERIALS 227 144-151 (2016).
  16. Spanopoulos I, Bratsos I, Tampaxis C, Vourloumis D, Klontzas E, Froudakis GE, Charalambopoulou G, Steriotis TA and Trikalitis PN, Exceptional gravimetric and volumetric CO2 uptake in a palladated NbO-type MOF utilizing cooperative acidic and basic, metal-CO2 interactions, CHEMICAL COMMUNICATIONS 52 (69), 10559-10562 (2016).
  17. Kyzas GZ, Siafaka PI, Bikiaris DN, Koukaras EN and Froudakis GE, Alternative use of cross-linked polyallylamine (known as Sevelamer pharmaceutical compound) as biosorbent, JOURNAL OF COLLOID AND INTERFACE SCIENCE 442 49-59 (2015).
  18. Gotzias A, Tylianakis E, Froudakis GE and Steriotis T, Adsorption in micro and mesoporous slit carbons with oxygen surface functionalities, MICROPOROUS AND MESOPOROUS MATERIALS 209 141-149 (2015).
  19. Stergiannakos T, Klontzas E, Tylianakis E and Froudakis GE, Enhancement of CO2 Adsorption in Magnesium Alkoxide IRMOF-10, JOURNAL OF PHYSICAL CHEMISTRY C 119 (38), 22001-22007 (2015).
  20. Tsikalas GK, Lazarou P, Klontzas E, Pergantis SA, Spanopoulos I, Trikalitis PN, Froudakis GE and Katerinopoulos HE, A “turn-on”-turning-to-ratiometric sensor for zinc(II) ions in aqueous media, RSC ADVANCES 4 (2), 693-696 (2014).
  21. Skarmoutsos I, Tamiolakis G and Froudakis GE, Separation of CO2-N-2 mixtures in 3D carbon-based porous nanotube networks: a molecular dynamics investigation, PHYSICAL CHEMISTRY CHEMICAL PHYSICS 16 (3), 876-879 (2014).
  22. Tsoufis T, Ampoumogli A, Gournis D, Georgakilas V, Jankovic L, Christoforidis KC, Deligiannakis Y, Mavrandonakis A, Froudakis GE, Maccallini E, Rudolf P, Mateo-Alonso A and Prato M, Direct observation of spin-injection in tyrosinate-functionalized single-wall carbon nanotubes, CARBON 67 424-433 (2014).
  23. Xydias P, Spanopoulos I, Klontzas E, Froudakis GE and Trikalitis PN, Drastic Enhancement of the CO2 Adsorption Properties in Sulfone-Functionalized Zr- and Hf-UiO-67 MOFs with Hierarchical Mesopores, INORGANIC CHEMISTRY 53 (2), 679-681 (2014).
  24. Kalantzopoulos GN, Enotiadis A, Maccallini E, Antoniou M, Dimos K, Policicchio A, Klontzas E, Tylianakis E, Binas V, Trikalitis PN, Agostino RG, Gournis D and Froudakis GE, Hydrogen storage in ordered and disordered phenylene-bridged mesoporous organosilicas, INTERNATIONAL JOURNAL OF HYDROGEN ENERGY 39 (5), 2104-2114 (2014).
  25. Koukaras EN, Papadimitriou SA, Bikiaris DN and Froudakis GE, Properties and energetics for design and characterization of chitosan nanoparticles used for drug encapsulation, RSC ADVANCES 4 (25), 12653-12661 (2014).
  26. Frysali MG, Klontzas E and Froudakis GE, Ab Initio Study of the Adsorption of CO2 on Functionalized Benzenes, CHEMPHYSCHEM 15 (5), 905-911 (2014).
  27. Koukaras EN, Montagnon T, Trikalitis P, Bikiaris D, Zdetsis AD and Froudakis GE, Toward Efficient Drug Delivery through Suitably Prepared Metal-Organic Frameworks: A First-Principles Study, JOURNAL OF PHYSICAL CHEMISTRY C 118 (17), 8885-8890 (2014).
  28. Tylianakis E, Dimitrakakis GK, Martin-Martinez FJ, Melchor S, Dobado JA, Klontzas E and Froudakis GE, Designing novel nanoporous architectures of carbon nanotubes for hydrogen storage, INTERNATIONAL JOURNAL OF HYDROGEN ENERGY 39 (18), 9825-9829 (2014).
  29. Wang CY, Gray JL, Gong QH, Zhao YG, Li J, Klontzas E, Psofogiannakis G, Froudakis GE and Lueking AD, Hydrogen Storage with Spectroscopic Identification of Chemisorption Sites in Cu-TDPAT via Spillover from a Pt/Activated Carbon Catalyst, JOURNAL OF PHYSICAL CHEMISTRY C 118 (46), 26750-26763 (2014).
  30. Lueking AD, Psofogiannakis G and Froudakis GE, Atomic Hydrogen Diffusion on Doped and Chemically Modified Graphene, JOURNAL OF PHYSICAL CHEMISTRY C 117 (12), 6312-6319 (2013).
  31. Gotzias A, Tylianakis E, Froudakis GE and Steriotis T, Effect of surface functionalities on gas adsorption in microporous carbons: a grand canonical Monte Carlo study, ADSORPTION-JOURNAL OF THE INTERNATIONAL ADSORPTION SOCIETY 19 (2-4), 745-756 (2013).
  32. Skarmoutsos I, Tamiolakis G and Froudakis GE, Carbon-Based Nanoporous Networks as Media for the Separation of CO2/CH4 Mixtures: A Molecular Dynamics Approach, JOURNAL OF PHYSICAL CHEMISTRY C 117 (38), 19373-19381 (2013).
  33. Gotzias A, Tylianakis E, Froudakis GE and Steriotis T, Theoretical study of hydrogen adsorption in oxygen functionalized carbon slit pores, MICROPOROUS AND MESOPOROUS MATERIALS 154 38-44 (2012).
  34. Stergiannakos T, Tylianakis E, Klontzas E, Trikalitis PN and Froudakis GE, Hydrogen Storage in Novel Li-Doped Corrole Metal-Organic Frameworks, JOURNAL OF PHYSICAL CHEMISTRY C 116 (15), 8359-8363 (2012).
  35. Psofogiannakis GM and Froudakis GE, Computational Prediction of New Hydrocarbon Materials: The Hydrogenated Forms of Graphdiyne, JOURNAL OF PHYSICAL CHEMISTRY C 116 (36), 19211-19214 (2012).
  36. Koukaras EN, Papadimitriou SA, Bikiaris DN and Froudakis GE, Insight on the Formation of Chitosan Nanoparticles through Ionotropic Gelation with Tripolyphosphate, MOLECULAR PHARMACEUTICS 9 (10), 2856-2862 (2012).
  37. Voutsadaki S, Tsikalas GK, Klontzas E, Froudakis GE, Pergantis SA, Demadis KD and Katerinopoulos HE, A cyclam-type “turn on” fluorescent sensor selective for mercury ions in aqueous media, RSC ADVANCES 2 (33), 12679-12682 (2012).
  38. Tylianakis E, Dimitrakakis GK, Melchor S, Dobado JA and Froudakis GE, Porous nanotube network: a novel 3-D nanostructured material with enhanced hydrogen storage capacity, CHEMICAL COMMUNICATIONS 47 (8), 2303-2305 (2011).
  39. Psofogiannakis GM and Froudakis GE, Theoretical Explanation of Hydrogen Spillover in Metal-Organic Frameworks, JOURNAL OF PHYSICAL CHEMISTRY C 115 (10), 4047-4053 (2011).
  40. Tylianakis E, Klontzas E and Froudakis GE, Multi-scale theoretical investigation of hydrogen storage in covalent organic frameworks, NANOSCALE 3 (3), 856-869 (2011).
  41. Psofogiannakis GM, Steriotis TA, Bourlinos AB, Kouvelos EP, Charalambopoulou GC, Stubos AK and Froudakis GE, Enhanced hydrogen storage by spillover on metal-doped carbon foam: an experimental and computational study, NANOSCALE 3 (3), 933-936 (2011).
  42. Koukaras EN, Zdetsis AD and Froudakis GE, Theoretical Study of Amino Acid Interaction with Metal Organic Frameworks, JOURNAL OF PHYSICAL CHEMISTRY LETTERS 2 (4), 272-275 (2011).
  43. Froudakis GE, Hydrogen storage in nanotubes & nanostructures, MATERIALS TODAY 14 (7-8), 324-328 (2011).
  44. Klontzas E, Tylianakis E and Froudakis GE, On the Enhancement of Molecular Hydrogen Interactions in Nanoporous Solids for Improved Hydrogen Storage, JOURNAL OF PHYSICAL CHEMISTRY LETTERS 2 (14), 1824-1830 (2011).
  45. Psofogiannakis GM and Froudakis GE, Fundamental studies and perceptions on the spillover mechanism for hydrogen storage, CHEMICAL COMMUNICATIONS 47 (28), 7933-7943 (2011).
  46. Varshney V, Roy AK, Froudakis GE and Farmer BL, Molecular dynamics simulations of thermal transport in porous nanotube network structures, NANOSCALE 3 (9), 3679-3684 (2011).
  47. Lazarides T, Charalambidis G, Vuillamy A, Reglier M, Klontzas E, Froudakis GE, Kuhri S, Guldi DM and Coutsolelos AG, Promising Fast Energy Transfer System via an Easy Synthesis: Bodipy-Porphyrin Dyads Connected via a Cyanuric Chloride Bridge, Their Synthesis, and Electrochemical and Photophysical Investigations, INORGANIC CHEMISTRY 50 (18), 8926-8936 (2011).
  48. Psofogiannakis GM, Steriotis TA, Bourlinos AB, Kouvelos EP, Charalambopoulou GC, Stubos AK and Froudakis GE, Enhanced hydrogen storage by spillover on metal-doped carbon foam: an experimental and computational study (vol 3, pg 933, 2011), NANOSCALE 3 (12), 5181-5181 (2011).
  49. Fioretos KA, Psofogiannakis GM and Froudakis GE, Ab-Initio Study of the Adsorption and Separation of NOx and SOx Gases in Functionalized IRMOF Ligands, JOURNAL OF PHYSICAL CHEMISTRY C 115 (50), 24906-24914 (2011).
  50. Klontzas E, Tylianakis E and Froudakis GE, Designing 3D COFs with Enhanced Hydrogen Storage Capacity, NANO LETTERS 10 (2), 452-454 (2010).
  51. Varshney V, Patnaik SS, Roy AK, Froudakis GE and Farmer BL, Modeling of Thermal Transport in Pillared-Graphene Architectures, ACS NANO 4 (2), 1153-1161 (2010).
  52. Voutsadaki S, Tsikalas GK, Klontzas E, Froudakis GE and Katerinopoulos HE, A “turn-on” coumarin-based fluorescent sensor with high selectivity for mercury ions in aqueous media, CHEMICAL COMMUNICATIONS 46 (19), 3292-3294 (2010).
  53. Tylianakis E, Psofogiannakis GM and Froudakis GE, Li-Doped Pillared Graphene Oxide: A Graphene-Based Nanostructured Material for Hydrogen Storage, JOURNAL OF PHYSICAL CHEMISTRY LETTERS 1 (16), 2459-2464 (2010).
  54. Stergiannakos T, Tylianakis E, Klontzas E and Froudakis GE, Enhancement of Hydrogen Adsorption in Metal-Organic Frameworks by Mg2+ Functionalization: A Multiscale Computational Study, JOURNAL OF PHYSICAL CHEMISTRY C 114 (39), 16855-16858 (2010).
  55. Froudakis GE, PHYS 436-Designing nanoporous materials for hydrogen storage, ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY 237 – (2009).
  56. Vogiatzis KD, Mavrandonakis A, Klopper W and Froudakis GE, Ab initio Study of the Interactions between CO2 and N-Containing Organic Heterocycles, CHEMPHYSCHEM 10 (2), 374-383 (2009).
  57. Tylianakis E and Froudakis GE, Grand Canonical Monte Carlo Method for Gas Adsorption and Separation, JOURNAL OF COMPUTATIONAL AND THEORETICAL NANOSCIENCE 6 (2), 335-348 (2009).
  58. Mavrandonakis A, Farantos SC and Froudakis GE, Analytical Potential Functions Based on Force-Fields for Studying the Dynamics of Vibrationally Excited and Reactive Carbon Nanotubes Interacting with Aminoacids, JOURNAL OF COMPUTATIONAL AND THEORETICAL NANOSCIENCE 6 (4), 880-885 (2009).
  59. Tylianakis E, Klontzas E and Froudakis GE, The effect of structural and energetic parameters of MOFs and COFs towards the improvement of their hydrogen storage properties, NANOTECHNOLOGY 20 (20), 204030 (2009).
  60. Psofogiannakis GM and Froudakis GE, DFT Study of the Hydrogen Spillover Mechanism on Pt-Doped Graphite, JOURNAL OF PHYSICAL CHEMISTRY C 113 (33), 14908-14915 (2009).
  61. Mavrandonakis A, Klontzas E, Tylianakis E and Froudakis GE, Enhancement of Hydrogen Adsorption in Metal-Organic Frameworks by the Incorporation of the Sulfonate Group and Li Cations. A Multiscale Computational Study, JOURNAL OF THE AMERICAN CHEMICAL SOCIETY 131 (37), 13410-13414 (2009).
  62. Psofogiannakis GM and Froudakis GE, DFT Study of Hydrogen Storage by Spillover on Graphite with Oxygen Surface Groups, JOURNAL OF THE AMERICAN CHEMICAL SOCIETY 131 (42), 15133-+ (2009).
  63. Klontzas E, Tylianakis E and Froudakis GE, Hydrogen Storage in Lithitim-Functionalized 3-D Covalent-Organic Framework Materials, JOURNAL OF PHYSICAL CHEMISTRY C 113 (50), 21253-21257 (2009).
  64. Mavrandonakis A, Tylianakis E, Stubos AK and Froudakis GE, Why Li doping in MOFs enhances H-2 storage capacity? A multi-scale theoretical study, JOURNAL OF PHYSICAL CHEMISTRY C 112 (18), 7290-7294 (2008).
  65. Klontzas E, Tylianakis E and Froudakis GE, Hydrogen storage in 3D covalent organic frameworks. A multiscale theoretical investigation, JOURNAL OF PHYSICAL CHEMISTRY C 112 (24), 9095-9098 (2008).
  66. Klontzas E, Mavrandonakis A, Tylianakis E and Froudakis GE, Improving hydrogen storage capacity of MOF bv functionalization of the organic linker with lithium atoms, NANO LETTERS 8 (6), 1572-1576 (2008).
  67. Mpourmpakis G and Froudakis GE, Assessing the density functional theory in the hydrogen storage problem, JOURNAL OF NANOSCIENCE AND NANOTECHNOLOGY 8 (6), 3091-3096 (2008).
  68. Dimitrakakis GK, Tylianakis E and Froudakis GE, Pillared Graphene: A New 3-D Network Nanostructure for Enhanced Hydrogen Storage, NANO LETTERS 8 (10), 3166-3170 (2008).
  69. Mpourmpakis G and Froudakis GE, Why boron nitride nanotubes are preferable to carbon nanotubes for hydrogen storage? An ab initio theoretical study, CATALYSIS TODAY 120 (3-4), 341-345 (2007).
  70. Mpourmpakis G, Froudakis GE, Lithoxoos GP and Samios J, Effect of curvature and chirality for hydrogen storage in single-walled carbon nanotubes: A Combined ab initio and Monte Carlo investigation, JOURNAL OF CHEMICAL PHYSICS 126 (14), 144704 (2007).
  71. Mpourmpakis G, Froudakis GE, Andriotis AN and Menon M, Enhancement of the ionization-potential of K and Rb upon chemisorption on a C-60 molecule, JOURNAL OF PHYSICAL CHEMISTRY C 111 (18), 6593-6596 (2007).
  72. Mpourmpakis G, Tylianakis E and Froudakis GE, Carbon nanoscrolls: A promising material for hydrogen storage, NANO LETTERS 7 (7), 1893-1897 (2007).
  73. Klontzas E, Mavrandonakis A, Froudakis GE, Carissan Y and Klopper W, Molecular hydrogen interaction with IRMOF-1: A multiscale theoretical study, JOURNAL OF PHYSICAL CHEMISTRY C 111 (36), 13635-13640 (2007).
  74. Mpourmpakis G, Tylianakis E and Froudakis GE, Hydrogen storage in carbon nanotubes: A multi-scale theoretical study, JOURNAL OF NANOSCIENCE AND NANOTECHNOLOGY 6 (1), 87-90 (2006).
  75. Mavrandonakis A, Farantos SC and Froudakis GE, Theoretical modelling of the glycine radical addition to carbon nanotubes, REVIEWS ON ADVANCED MATERIALS SCIENCE 11 (1), 88-91 (2006).
  76. Mpourmpakis G, Tylianakis E, Papanikolaou D and Froudakis GE, Theoretical study of alkaline metal cations in carbon nanotubes, REVIEWS ON ADVANCED MATERIALS SCIENCE 11 (1), 92-97 (2006).
  77. Mavrandonakis A, Farantos SC and Froudakis GE, Glycine interaction with carbon nanotubes: An ab initio study, JOURNAL OF PHYSICAL CHEMISTRY B 110 (12), 6048-6050 (2006).
  78. Mpourmpakis G, Froudakis GE, Lithoxoos GP and Samios J, SiC nanotubes: A novel material for hydrogen storage, NANO LETTERS 6 (8), 1581-1583 (2006).
  79. Mavrandonakis A, Froudakis GE, Andriotis A and Menon M, Silicon carbide nanotube tips: Promising materials for atomic force microscopy and/or scanning tunneling microscopy, APPLIED PHYSICS LETTERS 89 (12), 123126 (2006).
  80. Mpourmpakis G and Froudakis GE, Why alkali metals preferably bind on structural defects of carbon nanotubes: A theoretical study by first principles, JOURNAL OF CHEMICAL PHYSICS 125 (20), 204707 (2006).
  81. Mpourmpakis G, Tylianakis E, Papanikolaou D and Froudakis GE, A multi scale theoretical study of Li+ interaction with carbon nanotubes, JOURNAL OF NANOSCIENCE AND NANOTECHNOLOGY 6 (12), 3731-3735 (2006).
  82. Mpourmpakis G, Froudakis GE and Tylianakis E, Haeckelites: A promising anode material for lithium batteries application. An ab initio and molecular dynamics theoretical study, APPLIED PHYSICS LETTERS 89 (23), 233125 (2006).
  83. Mpourmpakis G, Froudakis GE, Andriotis AN and Menon M, Role of Co in enhancing the magnetism of small Fe clusters, PHYSICAL REVIEW B 72 (10), 104417 (2005).
  84. Mpourmpakis G, Froudakis GE, Andriotis AN and Menon M, Carbon-nanotube tips with edge made of a transition metal, APPLIED PHYSICS LETTERS 87 (19), 193105 (2005).
  85. Mpourmpakis G, Froudakis GE, Andriotis AN and Menon M, Role of Co in enhancing the magnetism of small Fe clusters, PHYSICAL REVIEW B 72 (10), 104417 (2005).
  86. Mpourmpakis G, Froudakis GE, Andriotis AN and Menon M, Carbon-nanotube tips with edge made of a transition metal, APPLIED PHYSICS LETTERS 87 (19), 193105 (2005).
  87. Muhlhauser M, Froudakis GE and Zdetsis A, An MRD-CI study of the electronic spectrum of Si3C3, JOURNAL OF MOLECULAR SPECTROSCOPY 223 (1), 96-100 (2004).
  88. Menon M, Richter E, Mavrandonakis A, Froudakis GE and Andriotis AN, Structure and stability of SiC nanotubes, PHYSICAL REVIEW B 69 (11), 115322 (2004).
  89. Andriotis AN, Mpourmpakis G, Froudakis GE and Menon M, Magnetic enhancement and magnetic reduction in binary clusters of transition metal atoms, JOURNAL OF CHEMICAL PHYSICS 120 (24), 11901-11904 (2004).
  90. Andriotis AN, Mpourmpakis G, Froudakis GE and Menon M, State-specific RKKY interaction in small magnetic clusters, PHYSICAL REVIEW B 70 (10), 104421 (2004).
  91. Froudakis GE and Stratakis M, A DFT study on the interaction of Li+ and Na+ with alkyl-substituted ethenes, EUROPEAN JOURNAL OF ORGANIC CHEMISTRY 2003 (2), 359-364 (2003).
  92. Stratakis M, Rabalakos C, Mpourmpakis G and Froudakis GE, Ene hydroperoxidation of isobutenylarenes within dye-exchanged zeolite Na-Y: Control of site selectivity by cation-arene interactions, JOURNAL OF ORGANIC CHEMISTRY 68 (7), 2839-2843 (2003).
  93. Mpourmpakis G, Froudakis GE, Andriotis AN and Menon M, Understanding the structure of metal encapsulated Si cages and nanotubes: Role of symmetry and d-band filling, JOURNAL OF CHEMICAL PHYSICS 119 (14), 7498-7502 (2003).
  94. Farantos SC, Filippou E, Stamatiadis S, Froudakis GE, Muhlhauser M, Peric M, Massaouti M, Sfounis A and Velegrakis M, The excited states of Sr+CO: photofragmentation spectra and ab initio calculations, CHEMICAL PHYSICS LETTERS 379 (3-4), 242-247 (2003).
  95. Froudakis GE, Schnell M, Muhlhauser M, Peyerimhoff SD, Andriotis AN, Menon M and Sheetz RM, Pathways for oxygen adsorption on single-wall carbon nanotubes, PHYSICAL REVIEW B 68 (11), 115435 (2003).
  96. Mpourmpakis G, Froudakis GE, Andriotis AN and Menon M, Fe encapsulation by silicon clusters: Ab initio electronic structure calculations, PHYSICAL REVIEW B 68 (12), 125407 (2003).
  97. Mavrandonakis A, Froudakis GE, Schnell M and Muhlhauser M, From pure carbon to silicon-carbon nanotubes: An ab-initio study, NANO LETTERS 3 (11), 1481-1484 (2003).
  98. Froudakis GE, HYDROGEN STORAGE IN SWNTS. A MIXED QM/MM STUDY, REVIEWS ON ADVANCED MATERIALS SCIENCE 5 (3), 259-264 (2003).
  99. Menon M, Andriotis AN and Froudakis GE, Structure and stability of Ni-encapsulated Si nanotube, NANO LETTERS 2 (4), 301-304 (2002).
  100. Mpourmpakis G, Muhlhauser M, Froudakis GE and Peyerimhoff SD, Importance of multi-reference configuration interaction for (3)Sigma(-)(u)<- X-3 Sigma(-)(g) transitions of linear HC7H, CHEMICAL PHYSICS LETTERS 356 (3-4), 398-402 (2002).
  101. Chronakis N, Froudakis GE and Orfanopoulos M, Stereochemistry of the [4+2] cycloadditions of trans,trans- and cis,trans-2,4-hexadiene to C-60, JOURNAL OF ORGANIC CHEMISTRY 67 (10), 3284-3289 (2002).
  102. Froudakis GE, Hydrogen interaction with carbon nanotubes: a review of ab initio studies, JOURNAL OF PHYSICS-CONDENSED MATTER 14 (17), R453-R465 (2002).
  103. Froudakis GE, Muhlhauser M, Farantos SC, Sfounis A and Velegrakis M, Mass spectra and structures of Cu(+)Rgn clusters (Rg = Ne, Ar), CHEMICAL PHYSICS 280 (1-2), 43-51 (2002).
  104. Mavrandonakis A, Muhlhauser M, Froudakis GE and Peyerimhoff SD, The electronic spectrum of linear pentadiynylidene in comparison with isomeric ethynylcyclopropenylidene, PHYSICAL CHEMISTRY CHEMICAL PHYSICS 4 (14), 3318-3321 (2002).
  105. Chatgilialoglu C, Ferreri C, Guerra M, Timokhin V, Froudakis GE and Gimisis T, 5-endo-trig radical cyclizations: Disfavored or favored processes?, JOURNAL OF THE AMERICAN CHEMICAL SOCIETY 124 (36), 10765-10772 (2002).
  106. Andriotis AN, Mpourmpakis G, Froudakis GE and Menon M, Stabilization of Si-based cage clusters and nanotubes by encapsulation of transition metal atoms, NEW JOURNAL OF PHYSICS 4 78 (2002).
  107. Farantos SC, Filippou E, Stamatiadis S, Froudakis GE, Mulhauser M, Massaouti M, Sfounis A and Velegrakis M, Photofragmentation spectra of Sr+CO complex: experiment and ab initio calculations, CHEMICAL PHYSICS LETTERS 366 (3-4), 231-237 (2002).
  108. Muhlhauser M, Froudakis GE and Peyerimhoff SD, MRD-CI study of the electronic spectrum of linear C-9, CHEMICAL PHYSICS LETTERS 336 (1-2), 171-176 (2001).
  109. Thermos K, Froudakis GE, Tagmatarchis N and Katerinopoulos HE, Cis- and trans-N-benzyl-octahydrobenzo[g]quinolines. Adrenergic and dopaminergic activity studies, BIOORGANIC & MEDICINAL CHEMISTRY LETTERS 11 (7), 883-886 (2001).
  110. Stratakis M, Hatzimarinaki M, Froudakis GE and Orfanopoulos M, Stereochemistry in the reaction of 4-methyl-1,2,4-triazoline-3,5-dione (MTAD) with beta,beta-dimethyl-p-methoxystyrene. Are open biradicals the reaction intermediates?, JOURNAL OF ORGANIC CHEMISTRY 66 (11), 3682-3687 (2001).
  111. Schnell M, Muhlhauser M, Froudakis GE and Peyerimhoff SD, Ab initio CCSD(T) and MRD-CI study of excited states and the electronic spectrum of linear C-5(+), CHEMICAL PHYSICS LETTERS 340 (5-6), 559-564 (2001).
  112. Andredakis GE, Moschou EA, Matthaiou K, Froudakis GE and Chaniotakis NA, Theoretical and experimental studies of metallated phenanthroline derivatives as carriers for the optimization of the nitrate sensor, ANALYTICA CHIMICA ACTA 439 (2), 273-280 (2001).
  113. Muhlhauser M, Froudakis GE and Peyerimhoff SD, The electronic spectrum of C-11 in its linear and cyclic conformation, PHYSICAL CHEMISTRY CHEMICAL PHYSICS 3 (18), 3913-3916 (2001).
  114. Andriotis AN, Menon M, Srivastava D and Froudakis GE, Extreme hydrogen sensitivity of the transport properties of single-wall carbon-nanotube capsules, PHYSICAL REVIEW B 64 (19), 193401 (2001).
  115. Froudakis GE, Andriotis AN and Menon M, Structural properties of metal-benzene, M-n(benzene)(m), M = Ni, V complexes: an ab initio study, CHEMICAL PHYSICS LETTERS 350 (5-6), 393-398 (2001).
  116. Froudakis GE, Muhlhauser M, Andriotis AN and Menon M, Ground-state geometry of small Ni-C clusters, PHYSICAL REVIEW B 64 (24), 241401 (2001).
  117. Froudakis GE, Hydrogen interaction with single-walled carbon nanotubes: A combined quantum-mechanics/molecular-mechanics study, NANO LETTERS 1 (4), 179-182 (2001).
  118. Froudakis GE, Why alkali-metal-doped carbon nanotubes possess high hydrogen uptake, NANO LETTERS 1 (10), 531-533 (2001).
  119. Menon M, Andriotis AN and Froudakis GE, Curvature dependence of the metal catalyst atom interaction with carbon nanotubes walls, CHEMICAL PHYSICS LETTERS 320 (5-6), 425-434 (2000).
  120. Karali A, Froudakis GE, Dais P and Heatley F, Complete assignment of H-1(.) and C-13 NMR spectra of poly(N-vinylcarbazole), MACROMOLECULES 33 (8), 3180-3183 (2000).
  121. Stratakis M and Froudakis GE, Site specificity in the photooxidation of some trisubstituted alkenes in thionin-supported zeolite Na-Y. On the role of the alkali metal cation, ORGANIC LETTERS 2 (10), 1369-1372 (2000).
  122. Andriotis AN, Menon M and Froudakis GE, Anomalous temperature dependence of the resistivity of single-wall carbon nanotubes, PHYSICAL REVIEW B 61 (20), 13393-13396 (2000).
  123. Andriotis AN, Menon M and Froudakis GE, Various bonding configurations of transition-metal atoms on carbon nanotubes: Their effect on contact resistance, APPLIED PHYSICS LETTERS 76 (26), 3890-3892 (2000).
  124. Muhlhauser M, Froudakis GE, Hanrath M and Peyerimhoff SD, The electronic spectrum of linear and rhombic C-4, CHEMICAL PHYSICS LETTERS 324 (1-3), 195-200 (2000).
  125. Froudakis GE, Farantos SC and Velegrakis M, Mass spectra and theoretical modeling of Li+Nen, Li+Arn and Li+Krn clusters, CHEMICAL PHYSICS 258 (1), 13-20 (2000).
  126. Andriotis AN, Menon M and Froudakis GE, Catalytic action of Ni atoms in the formation of carbon nanotubes: A molecular dynamics study, PHYSICAL REVIEW LETTERS 85 (15), 3193-3196 (2000).
  127. Andriotis AN, Menon M and Froudakis GE, Contrasting bonding behaviors of 3d transition metal atoms with graphite and C-60, PHYSICAL REVIEW B 62 (15), 9867-9871 (2000).
  128. Andriotis AN, Menon M, Froudakis GE and Lowther JE, Tight-binding molecular dynamics study of transition metal carbide clusters, CHEMICAL PHYSICS LETTERS 301 (5-6), 503-508 (1999).
  129. Velegrakis M, Froudakis GE and Farantos SC, Coordination of Ti cation embedded in argon clusters, CHEMICAL PHYSICS LETTERS 302 (5-6), 595-601 (1999).
  130. Andriotis AN, Menon M and Froudakis GE, Tight-binding molecular dynamics study of heteronuclear systems: Application to SimGen clusters, JOURNAL OF CLUSTER SCIENCE 10 (4), 549-556 (1999).
  131. Andriotis AN, Menon M, Froudakis GE, Fthenakis Z and Lowther JE, A tight-binding molecular dynamics study of NimSin binary clusters, CHEMICAL PHYSICS LETTERS 292 (4-6), 487-492 (1998).
  132. Velegrakis M, Froudakis GE and Farantos SC, Stability and structure of Ni+Arn and Pt+Arn clusters, JOURNAL OF CHEMICAL PHYSICS 109 (11), 4687-4688 (1998).
  133. Froudakis GE, Fanourgakis GS, Farantos SC and Xantheas SS, Binding energies and structures of C+Arn (n = 1-5), clusters from first principles, CHEMICAL PHYSICS LETTERS 294 (1-3), 109-116 (1998).
  134. Zdetsis AD, Froudakis GE, Muhlhauser M and Thumnel H, Ab initio study of electronic, structural, and vibrational properties of the Si4C cluster, JOURNAL OF CHEMICAL PHYSICS 104 (7), 2566-2573 (1996).
  135. Froudakis GE, Muhlhauser M and Zdetsis AD, THEORETICAL-STUDY OF THE SI3C2 CLUSTER, CHEMICAL PHYSICS LETTERS 233 (5-6), 619-626 (1995).
  136. Froudakis G, Zdetsis AD, Muhlhauser M, Engels B and Peyerimhoff SD, A COMPARATIVE AB-INITIO STUDY OF THE SI2C4, SI3C3, AND SI4C2 CLUSTERS, JOURNAL OF CHEMICAL PHYSICS 101 (8), 6790-6799 (1994).
  137. Muhlhauser M, Froudakis G, Zdetsis AD, Engels B, Flytzanis N and Peyerimhoff SD, AB-INITIO INVESTIGATION OF THE STABILITY OF SI(3)C(3) CLUSTERS AND THEIR STRUCTURAL AND BONDING FEATURES, ZEITSCHRIFT FUR PHYSIK D-ATOMS MOLECULES AND CLUSTERS 32 (1-2), 113-123 (1994).
  138. Muhlhauser M, Froudakis G, Zdetsis AD and Peyerimhoff SD, IMPORTANCE OF MULTICENTER BONDING IN THE STRUCTURE OF SI3C3, CHEMICAL PHYSICS LETTERS 204 (5-6), 617-623 (1993).
  139. Mistriotis AD, Froudakis G, Vendras P and Flytzanis N, MODEL POTENTIAL FOR SILICON CLUSTERS AND SURFACES, PHYSICAL REVIEW B 47 (16), 10648-10653 (1993).
  140. Mistriotis AD, Zdetsis AD, Froudakis GE and Menon M, REPRODUCTION OF QUANTUM TIGHT-BINDING EFFECTS IN SILICON CLUSTERS BY A 4-BODY CLASSICAL-MODEL, JOURNAL OF PHYSICS-CONDENSED MATTER 5 (34), 6183-6188 (1993).
  141. Zdetsis AD and Froudakis G, ENERGETICS AND STRUCTURE OF DANGLING AND FLOATING BONDS IN AMORPHOUS-SILICON, JOURNAL OF NON-CRYSTALLINE SOLIDS 137 303-306 (1991).