ON THE NEGLIGENT USE OF QUANTUM CHEMISTRY CALCULATIONS
Hoffmann Marcin 1, Rychlewski Jacek 1,2
1 Quantum Chemistry Group, Faculty of Chemistiy, Adam Mickiewicz University
Grunwaldzka 6, 60-780 Poznań, Poland
2Institute for Bioorganic Chemistiy, Polish Academy of Sciences
Noskowskiego 12/14, 61-704 Poznań, Poland
Received:
Received 15 July, 2001
DOI: 10.12921/cmst.2001.07.02.111-113
OAI: oai:lib.psnc.pl:520
References:
[1] For example see: (a) Kraka E., Cremer D. J. Am. Chem. Soc. 2000, 122, 8245-8264;
(b) Hoffmann M„ Rychlewski J. J. Am. Chem. Soc. 2001, 123, 6404-6409.
[2] Okuno Y., Iwashita T. Sugiura Y. J. Am. Chem. Soc. 2000, 122, 6848-6854.
[3] Frisch M. A., Trucks G. W., Schlegel H. B., Gill P. M. W., Johnson B. G., Robb M. A., Cheeseman J. R., Keith T., Petersson G.A., Montgomery J. A., Raghavachari K., Al.-Laham M. A., Zakrzewski V. G., Oritz J. V., Foresman J. B., Cioslowski J., Stefanov B. B., Nanayakkaia A., Challacombe M., Peng C. Y., Ayala P. Y., Chen W., Wong M. W., Andres J. L., Replogle E. S., Gomperts R., Martin R. L., Fox. D. J., Binkley J. S., Defrees D. J., Baker J., Stewart J. P., Head-Gordon M., Gonzalez C., Pople J. A. Gaussian 94, Gaussian Inc.: Pittsburgh, PA, 1995.
[4] Logan C. F., Chen, P. J. Am. Chem. Soc. 1996, 118, 2113-2114.
[5] Jones G. B„ Wamer P. M. J. Am. Chem. Soc. 2001, 123, 2134-2145.