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Floris89 |
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Fogarasi92 |
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Foresman15 |
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Foresman92 |
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Foresman93 |
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Foresman96 |
J. B. Foresman, T. A. Keith, K. B. Wiberg, J. Snoonian, and M. J. Frisch, “Solvent Effects 5. The Influence of Cavity Shape, Truncation of Electrostatics, and Electron Correlation on ab initio Reaction Field Calculations,” J. Phys. Chem., 100 (1996) 16098-104. |
Foresman96b |
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Forster48 |
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Frauenheim00 |
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Frisch09 |
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Frisch84 |
M. J. Frisch, J. A. Pople, and J. S. Binkley, “Self-Consistent Molecular Orbital Methods. 25. Supplementary Functions for Gaussian Basis Sets,” J. Chem. Phys., 80 (1984) 3265-69. |
Frisch86a |
M. J. Frisch, Y. Yamaguchi, J. Gaw, H. F. Schaefer III, and J. S. Binkley, “Analytic Raman intensities from molecular electronic wave functions,” J. Chem. Phys., 84 (1986) 531-32. |
Frisch90a |
M. J. Frisch, M. Head-Gordon, and J. A. Pople, “Direct analytic SCF second derivatives and electric field properties,” Chem. Phys., 141 (1990) 189-96. |
Frisch90b |
M. J. Frisch, M. Head-Gordon, and J. A. Pople, “Direct MP2 gradient method,” Chem. Phys. Lett., 166 (1990) 275-80. |
Frisch90c |
M. J. Frisch, M. Head-Gordon, and J. A. Pople, “Semi-direct algorithms for the MP2 energy and gradient,” Chem. Phys. Lett., 166 (1990) 281-89. |
Frisch92 |
M. J. Frisch, I. N. Ragazos, M. A. Robb, and H. B. Schlegel, “An Evaluation of 3 Direct MC-SCF Procedures,” Chem. Phys. Lett., 189 (1992) 524-28. |
Fuentealba82 |
P. Fuentealba, H. Preuss, H. Stoll, and L. v. Szentpály, “A Proper Account of Core-polarization with Pseudopotentials – Single Valence-Electron Alkali Compounds,” Chem. Phys. Lett., 89 (1982) 418-22. |
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G09 |
M. J. Frisch, G. W. Trucks, H. B. Schlegel, G. E. Scuseria, M. A. Robb, J. R. Cheeseman, G. Scalmani, V. Barone, B. Mennucci, G. A. Petersson, H. Nakatsuji, M. Caricato, X. Li, H. P. Hratchian, A. F. Izmaylov, J. Bloino, G. Zheng, J. L. Sonnenberg, M. Hada, M. Ehara, K. Toyota, R. Fukuda, J. Hasegawa, M. Ishida, T. Nakajima, Y. Honda, O. Kitao, H. Nakai, T. Vreven, J. A. Montgomery, Jr., J. E. Peralta, F. Ogliaro, M. Bearpark, J. J. Heyd, E. Brothers, K. N. Kudin, V. N. Staroverov, R. Kobayashi, J. Normand, K. Raghavachari, A. Rendell, J. C. Burant, S. S. Iyengar, J. Tomasi, M. Cossi, N. Rega, J. M. Millam, M. Klene, J. E. Knox, J. B. Cross, V. Bakken, C. Adamo, J. Jaramillo, R. Gomperts, R. E. Stratmann, O. Yazyev, A. J. Austin, R. Cammi, C. Pomelli, J. W. Ochterski, R. L. Martin, K. Morokuma, V. G. Zakrzewski, G. A. Voth, P. Salvador, J. J. Dannenberg, S. Dapprich, A. D. Daniels, Ö. Farkas, J. B. Foresman, J. V. Ortiz, J. Cioslowski, and D. J. Fox, Gaussian 09 (Gaussian, Inc., Wallingford CT, 2009). |
G70 |
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G76 |
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G80 |
J. S. Binkley, R. A. Whiteside, R. Krishnan, R. Seeger, D. J. Defrees, H. B. Schlegel, S. Topiol, L. R. Kahn, and J. A. Pople, Gaussian 80 (Carnegie-Mellon Quantum Chemistry Publishing Unit, Pittsburgh, PA, 1980). |
G82 |
J. S. Binkley, M. J. Frisch, D. J. Defrees, R. Krishnan, R. A. Whiteside, H. B. Schlegel, E. M. Fluder, and J. A. Pople, Gaussian 82 (Carnegie-Mellon Quantum Chemistry Publishing Unit, Pittsburgh, PA, 1982). |
G86 |
M. J. Frisch, J. S. Binkley, H. B. Schlegel, K. Raghavachari, C. F. Melius, R. L. Martin, J. J. P. Stewart, F. W. Bobrowicz, C. M. Rohlfing, L. R. Kahn, D. J. Defrees, R. Seeger, R. A. Whiteside, D. J. Fox, E. M. Fluder, and J. A. Pople, Gaussian 86 (Gaussian, Inc., Pittsburgh, PA, 1986). |
G88 |
M. J. Frisch, M. Head-Gordon, H. B. Schlegel, K. Raghavachari, J. S. Binkley, C. Gonzalez, D. J. Defrees, D. J. Fox, R. A. Whiteside, R. Seeger, C. F. Melius, J. Baker, L. R. Kahn, J. J. P. Stewart, E. M. Fluder, S. Topiol, and J. A. Pople, Gaussian 88 (Gaussian, Inc., Pittsburgh, PA, 1988). |
G90 |
M. J. Frisch, M. Head-Gordon, G. W. Trucks, J. B. Foresman, K. Raghavachari, H. B. Schlegel, M. Robb, J. S. Binkley, C. Gonzalez, D. J. Defrees, D. J. Fox, R. A. Whiteside, R. Seeger, C. F. Melius, J. Baker, L. R. Kahn, J. J. P. Stewart, E. M. Fluder, S. Topiol, and J. A. Pople, Gaussian 90 (Gaussian, Inc., Pittsburgh, PA, 1990). |
G92 |
M. J. Frisch, G. W. Trucks, M. Head-Gordon, P. M. W. Gill, M. W. Wong, J. B. Foresman, B. G. Johnson, H. B. Schlegel, M. A. Robb, E. S. Replogle, R. Gomperts, J. L. Andres, K. Raghavachari, J. S. Binkley, C. Gonzalez, R. L. Martin, D. J. Fox, D. J. Defrees, J. Baker, J. J. P. Stewart, and J. A. Pople, Gaussian 92 (Gaussian, Inc., Pittsburgh, PA, 1992). |
G92DFT |
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G94 |
M. J. Frisch, G. W. Trucks, H. B. Schlegel, P. M. W. Gill, B. G. Johnson, M. A. Robb, J. R. Cheeseman, T. A. Keith, G. A. Petersson, J. A. Montgomery Jr., K. Raghavachari, M. A. Al-Laham, V. G. Zakrzewski, J. V. Ortiz, J. B. Foresman, J. Cioslowski, B. B. Stefanov, A. Nanayakkara, M. Challacombe, C. Y. Peng, P. Y. Ayala, W. Chen, M. W. Wong, J. L. Andres, E. S. Replogle, R. Gomperts, R. L. Martin, D. J. Fox, J. S. Binkley, D. J. Defrees, J. Baker, J. P. Stewart, M. Head-Gordon, C. Gonzalez, and J. A. Pople, Gaussian 94 (Gaussian, Inc., Pittsburgh, PA, 1995). |
G98 |
M. J. Frisch, G. W. Trucks, H. B. Schlegel, G. E. Scuseria, M. A. Robb, J. R. Cheeseman, V. G. Zakrzewski, J. A. Montgomery Jr., R. E. Stratmann, J. C. Burant, S. Dapprich, J. M. Millam, A. D. Daniels, K. N. Kudin, M. C. Strain, O. Farkas, J. Tomasi, V. Barone, M. Cossi, R. Cammi, B. Mennucci, C. Pomelli, C. Adamo, S. Clifford, J. Ochterski, G. A. Petersson, P. Y. Ayala, Q. Cui, K. Morokuma, P. Salvador, J. J. Dannenberg, D. K. Malick, A. D. Rabuck, K. Raghavachari, J. B. Foresman, J. Cioslowski, J. V. Ortiz, A. G. Baboul, B. B. Stefanov, G. Liu, A. Liashenko, P. Piskorz, I. Komaromi, R. Gomperts, R. L. Martin, D. J. Fox, T. Keith, M. A. Al-Laham, C. Y. Peng, A. Nanayakkara, M. Challacombe, P. M. W. Gill, B. Johnson, W. Chen, M. W. Wong, J. L. Andres, C. Gonzalez, M. Head-Gordon, E. S. Replogle, and J. A. Pople, Gaussian 98 (Gaussian, Inc., Pittsburgh, PA, 1998). |
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