Dipole preserving and polarization consistent charges
Author:
Publisher
Wiley
Subject
Computational Mathematics,General Chemistry
Reference50 articles.
1. X-Ray Charge Densities and Chemical Bonding
2. Bachrach , S. Reviews in Computational Chemistry Lipkowitz , K. B. Boyd , D. B. VCH Weinheim 1994 5
3. A Priori Evaluation of Aqueous Polarization Effects through Monte Carlo QM-MM Simulations
4. QM:QM electronic embedding using Mulliken atomic charges: Energies and analytic gradients in an ONIOM framework
5. Applications and assessment of QM:QM electronic embedding using generalized asymmetric Mulliken atomic charges
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