A comparison of the results of PCILO andab initio SCF calculations for the molecules glycine, cysteine and N-acetyl-glycine-Reference-Cited by-同舟云学术

A comparison of the results of PCILO andab initio SCF calculations for the molecules glycine, cysteine and N-acetyl-glycine

Published:1981 Issue:2 Volume:58 Page:121-124
ISSN:0040-5744
Container-title:Theoretica Chimica Acta
language:en
Short-container-title:Theoret. Chim. Acta

Author:

Laurence Patricia R.,Thomson Colin

Publisher

Springer Science and Business Media LLC

Subject

Chiropractics,Physical and Theoretical Chemistry

Link

http://link.springer.com/content/pdf/10.1007/BF00550424.pdf

Reference13 articles.

1. Hehre, W. J., Lathan, W. A., Ditchfield, R., Newton, M. D., Pople, J. A.: ?Gaussian 70? program No. 236, Quantum Chemistry Program Exchange, University of Indiana, Bloomington (1970)

2. Diner, S., Malrieu, J. P., Claverie, P.: Theoret. Chim. Acta (Berl)13, 1 (1969);15, 100 (1969)

3. Pullman, A.: personal communication

4. Laurence, P. R., Thomson, C.: accepted for publication (Theoret. Chim. Acta)

5. Scheraga, H. A.: Adv. in Phys. Org. Chem:6, 103 (1968)

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