Many-body exchange-repulsion in polarizable molecular mechanics. I. orbital-based approximations and applications to hydrated metal cation complexes
Author:
Publisher
Wiley
Subject
Computational Mathematics,General Chemistry
Link
http://onlinelibrary.wiley.com/wol1/doi/10.1002/jcc.21865/fullpdf
Reference37 articles.
1. Anisotropic, Polarizable Molecular Mechanics Studies of Inter- and Intramolecular Interactions and Ligand−Macromolecule Complexes. A Bottom-Up Strategy
2. Design Of Next Generation Force Fields From AB Initio Computations: Beyond Point Charges Electrostatics
3. Frozen fragment reduced variational space analysis of hydrogen bonding interactions. Application to the water dimer
4. Molecular orbital studies of electron donor-acceptor complexes. 3. Energy and charge decomposition analyses for several strong complexes: carbon monoxide-borane, ammonia-borane, methylamine-borane, trimethylamine-borane, and ammonia-boron trifluoride
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