Gaussian 09 represents further development of the Gaussian 70, Gaussian 76, Gaussian 80, Gaussian 82, Gaussian 86, Gaussian 88, Gaussian 90, Gaussian 92, Gaussian 92/DFT, Gaussian 94 and Gaussian 98 systems previously published [G70, G76, G80, G82, G86, G88, G90, G92DFT, G94, G98, G03]. The current required citation for this work is given below; note that you should replace Revision A.1 with the identifier for the revision of the program that you actually use. A paper describing the scienfitic capabilities of Gaussian 09 is in preparation. Once it is published, this reference should be cited thereafter (see www.gaussian.com/citation_g09.htm for the latest information).
Gaussian 09, Revision A.1, 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, O. Farkas, J. B. Foresman, J. V. Ortiz, J. Cioslowski, and D. J. Fox, Gaussian, Inc., Wallingford CT, 2009.
To be done.
To be done.
The advances presented for the first time in Gaussian 09 are the work of M. J. Frisch, G. W. Trucks, J. R. Cheeseman, G. Scalmani, M. Caricato, H. P. Hratchian, X. Li, V. Barone, J. Bloino, G. Zheng, T. Vreven, J. A. Montgomery, Jr., G. A. Petersson, G. E. Scuseria, H. B. Schlegel, H. Nakatsuji, A. F. Izmaylov, R. L. Martin, J. L. Sonnenberg, J. E. Peralta, J. J. Heyd, E. Brothers, F. Ogliaro, M. Bearpark, M. A. Robb, B. Mennucci, K. N. Kudin, V. N. Staroverov, R. Kobayashi, J. Normand, A. Rendell, R. Gomperts, V. G. Zakrzewski, M. Hada, M. Ehara, K. Toyota, R. Fukuda, J. Hasegawa, M. Ishida, T. Nakajima, Y. Honda, O. Kitao and H. Nakai.
In general, we recommend citing the original references describing the theoretical methods used when reporting results obtained from Gaussian calculations, as well as giving the citation for the program itself. These references are given in the discussions of the relevant keywords. The only exceptions occur with long established methods such as Hartree-Fock theory which have advanced to the state of common practice and are essentially self-citing at this point.
In some cases, Gaussian output will display the references relevant to the current calculation type.
Gaussian also includes the NBO program as link 607. If this program is used, it should be cited separately as:
NBO Version 3.1, E. D. Glendening, A. E. Reed, J. E. Carpenter, and F. Weinhold.
The original literature references for NBO can also be cited [Foster80, Reed83a, Reed85, Reed85a, Carpenter87, Carpenter88, Reed88, Weinhold88].
Last updated on: 9 Jun 2009