| Gaussian 03, revision c. 02, Gaussian M Frisch, GW Trucks, HB Schlegel, GE Scuseria, MA Robb, ... Inc., Wallingford, CT 4, 2004 | 56901 | 2004 |
| Gaussian 16 MJ Frisch, GW Trucks, HB Schlegel, GE Scuseria, MA Robb, ... Gaussian, Inc., 2016 | 45282* | 2016 |
| Gaussian 16 MJ Frisch, GW Trucks, HB Schlegel, GE Scuseria, MA Robb, ... Gaussian, Inc., 2016 | 43831* | 2016 |
| Gaussian Inc MJ Frisch, GW Trucks, HB Schlegel, GE Scuseria, MA Robb, ... Wallingford Ct 2009, 2009 | 3339 | 2009 |
| A new ONIOM implementation in Gaussian98. Part I. The calculation of energies, gradients, vibrational frequencies and electric field derivatives S Dapprich, I Komáromi, KS Byun, K Morokuma, MJ Frisch Journal of Molecular Structure: THEOCHEM 461, 1-21, 1999 | 2452 | 1999 |
| A new energy decomposition scheme for molecular interactions within the Hartree‐Fock approximation K Kitaura, K Morokuma International Journal of Quantum Chemistry 10 (2), 325-340, 1976 | 2439 | 1976 |
| ONIOM: A Multilayered Integrated MO + MM Method for Geometry Optimizations and Single Point Energy Predictions. A Test for Diels−Alder Reactions and Pt(P(t-Bu)3)2 + … M Svensson, S Humbel, RDJ Froese, T Matsubara, S Sieber, K Morokuma The Journal of Physical Chemistry 100 (50), 19357-19363, 1996 | 2343 | 1996 |
| Molecular Orbital Studies of Hydrogen Bonds. III. C=O···H–O Hydrogen Bond in H2CO···H2O and H2CO···2H2O K Morokuma The Journal of Chemical Physics 55 (3), 1236-1244, 1971 | 2243 | 1971 |
| IMOMM: A new integrated ab initio + molecular mechanics geometry optimization scheme of equilibrium structures and transition states F Maseras, K Morokuma Journal of Computational Chemistry 16 (9), 1170-1179, 1995 | 2118 | 1995 |
| Encyclopedia of computational chemistry WL Hase Wiley, New York 1, 399-402, 1998 | 1815* | 1998 |
| Catalysis research of relevance to carbon management: progress, challenges, and opportunities H Arakawa, M Aresta, JN Armor, MA Barteau, EJ Beckman, AT Bell, ... Chemical reviews 101 (4), 953-996, 2001 | 1626 | 2001 |
| Gaussian 09, Revision D. 01, Gaussian, Inc., Wallingford CT MJ Frisch, GW Trucks, HB Schlegel, GE Scuseria, MA Robb, ... See also: URL: http://www. gaussian. com, 2009 | 1501* | 2009 |
| Gaussian 03; Gaussian, Inc MJ Frisch, GW Trucks, HB Schlegel, GE Scuseria, MA Robb, ... Wallingford, CT 6492, 2004 | 1489 | 2004 |
| Why do molecules interact? The origin of electron donor-acceptor complexes, hydrogen bonding and proton affinity K Morokuma Accounts of Chemical Research 10 (8), 294-300, 1977 | 1217 | 1977 |
| The ONIOM method and its applications LW Chung, WMC Sameera, R Ramozzi, AJ Page, M Hatanaka, ... Chemical reviews 115 (12), 5678-5796, 2015 | 1124 | 2015 |
| Gaussian 16 F Lipparini, F Egidi, J Goings, B Peng, A Petrone, T Henderson, ... Rev. C, 2016 | 1066 | 2016 |
| The intrinsic reaction coordinate. An ab initio calculation for HNC→HCN and H−+CH4→CH4+H− K Ishida, K Morokuma, A Komornicki The Journal of Chemical Physics 66 (5), 2153-2156, 1977 | 1049 | 1977 |
| Combining quantum mechanics methods with molecular mechanics methods in ONIOM T Vreven, KS Byun, I Komáromi, S Dapprich, JA Montgomery Jr, ... Journal of chemical theory and computation 2 (3), 815-826, 2006 | 1042 | 2006 |
| Fox MJ Frisch, GW Trucks, HB Schlegel, GE Scuseria, MA Robb, ... DJ Gaussian 9, 2009 | 967 | 2009 |
| The IMOMO method: Integration of different levels of molecular orbital approximations for geometry optimization of large systems: Test for n‐butane conformation and SN2 … S Humbel, S Sieber, K Morokuma The Journal of chemical physics 105 (5), 1959-1967, 1996 | 890 | 1996 |
