Development of an Advanced Force Field for Water Using Variational Energy Decomposition Analysis
Author:
Funder
Division of Chemistry
Publisher
American Chemical Society (ACS)
Subject
Physical and Theoretical Chemistry,Computer Science Applications
Link
https://pubs.acs.org/doi/pdf/10.1021/acs.jctc.9b00478
Reference102 articles.
1. Consistent Force Field for Calculations of Conformations, Vibrational Spectra, and Enthalpies of Cycloalkane andn‐Alkane Molecules
2. The Role of Broken Symmetry in Solvation of a Spherical Cavity in Classical and Quantum Water Models
3. Ions at Aqueous Interfaces: From Water Surface to Hydrated Proteins
4. Ions at Hydrophobic Aqueous Interfaces: Molecular Dynamics with Effective Polarization
5. Computational optimization of electric fields for better catalysis design
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