Gaussian 16, Gaussian MJ Frisch, GW Trucks, HB Schlegel, GE Scuseria, MA Robb, ... Inc.: Wallingford, CT, USA, 2016 | 3385* | 2016 |
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Hasegawa MJ Frisch, GW Trucks, HB Schlegel, GE Scuseria, MA Robb, ... Ishida, M, 2003 | 530 | 2003 |
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16, Revision C. 01, Gaussian MJ Frisch, GW Trucks, HB Schlegel, GE Scuseria, MA Robb, ... Inc., Wallingford CT 2016, 2016 | 122 | 2016 |
Gaussian 16, revision C. 02; Gaussian, Inc MJ Frisch, GW Trucks, HB Schlegel, GE Scuseria, MA Robb, ... Wallingford, CT, 2019 | 114 | 2019 |
Regio-selectivity prediction with a machine-learned reaction representation and on-the-fly quantum mechanical descriptors Y Guan, CW Coley, H Wu, D Ranasinghe, E Heid, TJ Struble, L Pattanaik, ... Chemical science 12 (6), 2198-2208, 2021 | 109 | 2021 |
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CCSD (T)/CBS atomic and molecular benchmarks for H through Ar DS Ranasinghe, GA Petersson The Journal of Chemical Physics 138 (14), 2013 | 73 | 2013 |
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GWT MJ Frisch, HB Schlegel, GE Scuseria, MA Robb, JR Cheeseman, ... Schlegel, HB, 2016 | 67 | 2016 |
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Vertical valence ionization potential benchmarks from equation-of-motion coupled cluster theory and QTP functionals DS Ranasinghe, JT Margraf, A Perera, RJ Bartlett The Journal of chemical physics 150 (7), 2019 | 51 | 2019 |
Gaussian 16 Rev. C. 1 Gaussian MJ Frisch, GW Trucks, HB Schlegel, GE Scuseria, MA Robb, ... Inc., Wallingford, CT, 2019 | 49 | 2019 |
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The power of exact conditions in electronic structure theory RJ Bartlett, DS Ranasinghe Chemical Physics Letters 669, 54-70, 2017 | 40 | 2017 |
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