NWChem: Past, present, and future E Apra, EJ Bylaska, WA De Jong, N Govind, K Kowalski, TP Straatsma, ... The Journal of chemical physics 152 (18), 2020 | 636 | 2020 |
NWChem E Apra, EJ Bylaska, WA de Jong, N Govind, K Kowalski, TP Straatsma, ... American Institute of Physics, 2020 | 216 | 2020 |
Bistetracene: an air-stable, high-mobility organic semiconductor with extended conjugation L Zhang, A Fonari, Y Liu, ALM Hoyt, H Lee, D Granger, S Parkin, ... Journal of the American Chemical Society 136 (26), 9248-9251, 2014 | 172 | 2014 |
Design, synthesis, and structural and spectroscopic studies of push–pull two-photon absorbing chromophores with acceptor groups of varying strength AR Morales, A Frazer, AW Woodward, HY Ahn-White, A Fonari, P Tongwa, ... The Journal of organic chemistry 78 (3), 1014-1025, 2013 | 105 | 2013 |
Mode-selective vibrational modulation of charge transport in organic electronic devices AA Bakulin, R Lovrinčić, Y Xi, O Selig, HJ Bakker, YLA Rezus, PK Nayak, ... Nature Communications 6, 7880, 2015 | 98 | 2015 |
Electronic properties of mixed-stack organic charge-transfer crystals L Zhu, Y Yi, A Fonari, NS Corbin, V Coropceanu, JL Brédas The Journal of Physical Chemistry C 118 (26), 14150-14156, 2014 | 90 | 2014 |
Temperature-mediated polymorphism in molecular crystals: the impact on crystal packing and charge transport LA Stevens, KP Goetz, A Fonari, Y Shu, RM Williamson, JL Bredas, ... Chemistry of Materials 27 (1), 112-118, 2015 | 86 | 2015 |
Bis (carbazolyl) derivatives of pyrene and tetrahydropyrene: synthesis, structures, optical properties, electrochemistry, and electroluminescence BR Kaafarani, O Ala'a, R Trattnig, A Fonari, S Sax, B Wex, C Risko, ... Journal of Materials Chemistry C 1 (8), 1638-1650, 2013 | 86 | 2013 |
Dimers of Nineteen‐Electron Sandwich Compounds: Crystal and Electronic Structures, and Comparison of Reducing Strengths SK Mohapatra, A Fonari, C Risko, K Yesudas, K Moudgil, JH Delcamp, ... Chemistry–A European Journal 20 (47), 15385-15394, 2014 | 65 | 2014 |
Triisopropylsilylethynyl‐Functionalized Graphene‐Like Fragment Semiconductors: Synthesis, Crystal Packing, and Density Functional Theory Calculations L Zhang, A Fonari, Y Zhang, G Zhao, V Coropceanu, W Hu, S Parkin, ... Chemistry–A European Journal 19 (52), 17907-17916, 2013 | 62 | 2013 |
Freezing-in orientational disorder induces crossover from thermally-activated to temperature-independent transport in organic semiconductors KP Goetz, A Fonari, D Vermeulen, P Hu, H Jiang, PJ Diemer, JW Ward, ... Nature Communications 5 (1), 5642, 2014 | 49 | 2014 |
Structure–cytotoxicity relationship in a series of N-phosphorus substituted E,E-3,5-bis(3-pyridinylmethylene)- and E,E-3,5-bis(4-pyridinylmethylene)piperid-4-ones ES Leonova, MV Makarov, EY Rybalkina, SL Nayani, P Tongwa, A Fonari, ... European journal of medicinal chemistry 45 (12), 5926-5934, 2010 | 36 | 2010 |
Effective mass calculator A Fonari, C Sutton can be found under https://github. com/afonari/, nd, 2012 | 32 | 2012 |
Impact of exact exchange in the description of the electronic structure of organic charge-transfer molecular crystals A Fonari, C Sutton, JL Brédas, V Coropceanu Physical Review B 90 (16), 165205, 2014 | 30 | 2014 |
Effective Mass Calculator for Semiconductors A Fonari, C Sutton GitHub: San Francisco, CA, USA, 2015 | 25 | 2015 |
2, 6-Diacylnaphthalene-1, 8: 4, 5-bis (dicarboximides): synthesis, reduction potentials, and core extension LE Polander, L Pandey, A Romanov, A Fonari, S Barlow, BM Seifried, ... The Journal of Organic Chemistry 77 (13), 5544-5551, 2012 | 24 | 2012 |
Toward Antikekulene: Angular 1, 2-Di-, 2, 3-Di-, and 1, 2, 15, 16-Tetrachloro [6] phenylene A Fonari, JC Roeder, H Shen, TV Timofeeva, KPC Vollhardt Synlett 25 (17), 2429-2433, 2014 | 22 | 2014 |
Effective mass calculator, 2012 A Fonari, C Sutton There is no corresponding record for this reference, 0 | 22 | |
Absolute Configuration and Polymorphism of 2-Phenylbutyramide and α-Methyl-α-phenylsuccinimide VN Khrustalev, B Sandhu, S Bentum, A Fonari, AV Krivoshein, ... Crystal growth & design 14 (7), 3360-3369, 2014 | 20 | 2014 |
Vibrational properties of organic donor-acceptor molecular crystals: Anthracene-pyromellitic-dianhydride (PMDA) as a case study A Fonari, NS Corbin, D Vermeulen, KP Goetz, OD Jurchescu, LE McNeil, ... The Journal of Chemical Physics 143 (22), 2015 | 18 | 2015 |