Hybrid diatomics-in-molecules-based quantum mechanical/molecular mechanical approach applied to the modeling of structures and spectra of mixed molecular clusters Arn(HCl)m and Arn(HF)m-Reference-Cited by-同舟云学术

Hybrid diatomics-in-molecules-based quantum mechanical/molecular mechanical approach applied to the modeling of structures and spectra of mixed molecular clusters Arn(HCl)m and Arn(HF)m

Published:2004-02-22 Issue:8 Volume:120 Page:3732-3743
ISSN:0021-9606
Container-title:The Journal of Chemical Physics
language:en
Short-container-title:The Journal of Chemical Physics

Author:

Bochenkova A. V.,Suhm M. A.,Granovsky A. A.,Nemukhin A. V.

Publisher

AIP Publishing

Subject

Physical and Theoretical Chemistry,General Physics and Astronomy

Link

http://aip.scitation.org/doi/pdf/10.1063/1.1642596

Reference70 articles.

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

2. A combined quantum mechanical and molecular mechanical potential for molecular dynamics simulations

3. A Priori Evaluation of Aqueous Polarization Effects through Monte Carlo QM-MM Simulations

4. Hybrid Models for Combined Quantum Mechanical and Molecular Mechanical Approaches

5. The Effective Fragment Potential Method: A QM-Based MM Approach to Modeling Environmental Effects in Chemistry

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