The coupling constant polarizability and hyperpolarizabilty of 1J(NH) in N-methylacetamide, and its application for the multipole spin-spin coupling constant polarizability/reaction field approach to solvation-Reference-Cited by-同舟云学术

The coupling constant polarizability and hyperpolarizabilty of 1J(NH) in N-methylacetamide, and its application for the multipole spin-spin coupling constant polarizability/reaction field approach to solvation

Published:2011-08-26 Issue:15 Volume:32 Page:3168-3174
ISSN:0192-8651
Container-title:Journal of Computational Chemistry
language:en
Short-container-title:J. Comput. Chem.

Author:

Kjaer Hanna,Sauer Stephan P. A.,Kongsted Jacob

Publisher

Wiley

Subject

Computational Mathematics,General Chemistry

Reference60 articles.

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3. Quantum Mechanical Continuum Solvation Models

4. Theoretical studies of enzymic reactions: Dielectric, electrostatic and steric stabilization of the carbonium ion in the reaction of lysozyme

5. A combinedab initio quantum mechanical and molecular mechanical method for carrying out simulations on complex molecular systems: Applications to the CH3Cl + Cl? exchange reaction and gas phase protonation of polyethers

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