Ab initio SCF structure investigation of β-hydroxypropionic acid and 3-aminopropionamide

International Journal of Quantum Chemistry

Volumn 57, Issue 5, 1996, Pages 929-941

  Cheng, Vincent K W ^a   Flock, Michaela ^b   Ramek, Michael ^b  

^a UNIVERSITY OF HONG KONG   (Hong Kong)

^b GRAZ UNIVERSITY OF TECHNOLOGY   (Austria)

Author keywords

[No Author keywords available]

Indexed keywords

EID: 3743105053     PISSN: 00207608     EISSN: None     Source Type: Journal    
DOI: 10.1002/(SICI)1097-461X(1996)57:5<929::AID-QUA13>3.0.CO;2-S     Document Type: Article

References (14)

1. M. Ramek and M. Flock, Amino Acids (in press).
2. M. Flock and M. Ramek, J. Mol. Struct. (Theochem) 310, 269 (1994).
3. P. Vayer, P. Mandel, and M. Maitre, Life Sci. 41, 1547 (1987).
4. M. Ramek, J. Mol. Struct. (Theochem) 208, 301 (1990).
5. C. C. J. Roothaan, Rev. Mod. Phys. 23, 69 (1951).
6. R. Ditchfield, W. J. Hehre, and J. A. Pople, J. Chem. Phys. 54, 724 (1971).
7. E. Honegger and S. Leutwyler, J. Chem. Phys. 88, 2582 (1988).
8. M. Ramek and V. K. W. Cheng, Int. J. Quantum Chem., Quantum Biol. Symp. 19, 15 (1992).
9. M. W. Schmidt, K. K. Baldridge, J. A. Boatz, S. T. Elbert, M. S. Gordon, J. H. Jensen, S. Koseki, N. Matsunaga, K. A. Nguyen, S. Su, T. L. Windus, M. Dupuis, and J. A. Montgomery, Jr., J. Comp. Chem. 14, 1347 (1993).
10. M. Frisch, J. S. Binkley, H. B. Schlegel, K. Raghavachari, R. Martin, J. J. P. Stewart, F. Bobrowicz, D. DeFrees, R. Seeger, R. Whiteside, D. Fox, E. Fluder, and J. A. Pople, GAUSSIAN 86, Release C (Carnegie Mellon University, Pittsburgh, PA, 1986).
11. M. Flock, Dissertation, Technische Universität Graz (1994).
12. I. Mayer, Chem. Phys. Lett. 97, 270 (1983).
13. M. Ramek, M. Flock, and A.-M. Kelterer, J. Mol. Struct. (Theochem) 276, 61 (1992).
14. A.-M Kelterer and M. Ramek, Int. J. Quantum Chem, Quantum Chem. Symp. 27, 479 (1993).