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.