Theoretical DFT study on glucose-6-phosphate

Journal of Molecular Structure

Volumn 744-747, Issue SPEC. ISS., 2005, Pages 929-936

  Pasterny, Karol ^a   Chełmecka, Elzbieta ^a   Wrzalik, Roman ^a   Szeja, Wiesław ^b  

^a UNIVERSITY OF SILESIA   (Poland)

^b SILESIAN UNIVERSITY OF TECHNOLOGY   (Poland)

Author keywords

DFT Calculations; Glucose 6 phosphate; IR and Raman; Monosodium salt

Indexed keywords

APPROXIMATION THEORY; CHEMICAL BONDS; GLUCOSE; INFRARED SPECTROSCOPY; PROBABILITY DENSITY FUNCTION; RAMAN SPECTROSCOPY; SODIUM COMPOUNDS;

BOND LENGTHS; GLUCOSE-6-PHOSPHATE (G6P); HARMONIC FREQUENCIES; MOLECULAR ORBITALS;

PHOSPHATES;

EID: 19344370853     PISSN: 00222860     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.molstruc.2004.11.084     Document Type: Conference Paper

References (17)

1. S.K. Katti, T.P. Seshardi, and M.A. Viswamitra Acta Crystallogr. B38 1982 1136
2. 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, D.K. Malick, A.D. Rabuck, K. Raghavachari, J.B. Foresman, J. Cioslowski, J.V. Ortiz, 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, C. Gonzalez, M. Challacombe, P.M.W. Gill, B. Johnson, W. Chen, M.W. Wong, J.L. Andres, C. Gonzalez, M. Head-Gordon, E.S. Replogle, J.A. Pople, gaussian 98, Rev. A.6 (program and manual), Gaussian, Inc., Pittsburgh PA, 1998.
3. S.S. Chu, and G.A. Jeffrey Acta Crystallogr. B24 1968 830
4. P. Zugenmaier, and G. Rappenecker Acta Crystallogr. B34 1978 164
5. G.M. Brown, and H.A. Levy Acta Crystallogr. B35 1979 656
6. H.M. Berman, S.S. Chu, and G.A. Jeffrey Science 157 1967 1576
7. M. Sundaralingam Biopolymers 7 1969 821
8. J.W. Brown, and B.D. Wladkowski J. Am. Chem. Soc. 118 1996 1190
9. Ch.J. Cramer, and D.G. Truhlar J. Am. Chem. Soc. 115 1993 5745
10. P.L. Polavarapu, and C.S. Ewig J. Comp. Chem. 13 1992 1255
11. T.M. Glennon, Ya.-J. Zheng, S.M. LeGrand, B.A. Shutzberg, and K.M. Merz Jr. J. Comp. Chem. 15 1994 1019
12. P. Pulay, G. Fogarasi, G. Pongor, J.E. Boggs, and A. Vargha J. Am. Chem. Soc. 105 1983 7037
13. G. Rauhut, and P. Pulay J. Phys. Chem. 99 1995 3093
14. M.V. Korolevich, R.G. Zhbankov, and V.V. Sivchik J. Mol. Struct. 220 1990 301
15. M.V. Korolevich, and R.G. Zhbankov J. Mol. Struct. 440 1998 247
16. M. Dauchez, P. Derreumaux, and G. Vergoten J. Comp. Chem. 14 1992 263
17. H.A. Wells Jr., and R.H. Atalla J. Mol. Struct. 224 1990 385