GET_pdf delibra

Volume 6 (1) 2000, 61-64

THE EFFECT OF DIFFUSE FUNCTIONS FOR PROPER DESCRIPTION OF ENERGIES OF STRUCTURES OF D-GLUCOSE

Hoffmann Marcin 1, Rychlewski Jacek 1,2

1 Quantum Chemistry Group, Faculty of Chemistry, Adam Mickiewicz University,
ul. Grunwaldzka 6, 60-780 Poznań, Poland
2Institute ofBioorganic Chemistry, Polish Academy of Sciences,
id. Noskowskiego 12/14, 61-704 Poznań, Poland

DOI:   10.12921/cmst.2000.06.01.61-64

OAI:   oai:lib.psnc.pl:509

References:

[1] Colins P., Ferrier R., Monosacharides: Their Chemistry and Their Roles in Natural Products,
Wiley, New York (1995).
[2] Styer L., Biochemistry. W. H. Freeman & Co: New York (1995).
[3] Springer T. A., Nature, 346, 425 (1990).
[4] Thotakura N. R., Weintraub B. D., Bahl 0. P., Mol. Cell. Endirinol., 70, 263 (1990).
[5] Stoolman L. M., Cell, 56, 907 (1989).
[6] Green A. E„ Zanardi, M., Int. J. Quantum Chem., 66, 219 (1998).
[7] Zheng Y.-J., Rick L. O., Leary J. A., J. Mol. Struct. (Theochem), 389, 233 (1997).
[8] Chung-Phillips A, Chen Y. Y„ J. Phys. Chem., A103, 953 (1999).
[9] Wladkowski B. D„ Chenoweth S. A., Jones K. E„ Brown J. W, J. Phys. Chem., A102, 5086 (1998).
[10] Simmerling C„ Fox T„ Kollman P. A., J. Am. Chem. Soc., 120, 5771 (1998).
[11] Cramer C. J., Truhlar D. G„ J. Am. Chem. Soc., 115, 5745 (1993).
[12] Rockwell G. D„ Grindley T. B„ J. Am. Chem. Soc, 120, 10953 (1998).
[13] Luque F. J, Lopez J. M, Lopez de la Paz M, Vicent C, Orozco M, J. Phys. Chem, A102, 6690
(1998).
[14] Molteni C, Parrinello M, J. Am. Chem. Soc, 120, 2168 (1998).
[15] Barrows S. E, Storer J. W, Cramer C. J, French A. D, Truhlar D. G, J. Comput. Chem, 19, 1111
(1998).
[16] Damm W, Frontera A, Tirado-Rives J, Jorgensen W. L, J. Comput. Chem, 18, 1955 (1997).
[17] Barrows S. E„ Dulles F. J, Cramer C. J, French A. D„ Truhlar D. G„ Carbohydr. Res, 276, 219
(1995).
[18] Ma B, Schaefer III H. F„ AllingerN. L„ J. Am. Chem. Soc, 120, 3411 (1998).
[19] Lii J. H„ MaB, AllingerN. L„ J. Comput. Chem, 20, 1593 (1999).
[20] Gaussian 94, Revision E.2, M. J. Frisch, G. W. Trucks, H. B. Schlegel, P. M. W. Gill, B. G.
Johnson, M. A. Robb, J. R. Cheeseman, T. Keith, G. A. Petersson, J. A. Montgomery, 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, Inc., Pittsburgh PA (1995).
[21] Herhe W. J, Radom L, Schleyer P.v. R, People J. A, Ab initio Molecular Orbital Theory. Wiley,
NewYork (1986).