Near ab initio quality molecular electrostatic potential maps using hybridization displacement charges at PM3 level and effects of geometrical changes in amino groups-Reference-Cited by-同舟云学术

Near ab initio quality molecular electrostatic potential maps using hybridization displacement charges at PM3 level and effects of geometrical changes in amino groups

Published:2001 Issue:6 Volume:82 Page:299-312
ISSN:0020-7608
Container-title:International Journal of Quantum Chemistry
language:en
Short-container-title:Int. J. Quantum Chem.

Author:

Singh A. K.,Kushwaha P. S.,Mishra P. C.

Publisher

Wiley

Subject

Physical and Theoretical Chemistry,Condensed Matter Physics,Atomic and Molecular Physics, and Optics

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1. The Role of Polarization and Charge Transfer in the Solvation of Biomolecules

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5. Development and use of quantum mechanical molecular models. 76. AM1: a new general purpose quantum mechanical molecular model

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