Construction of molecular mechanics energy functions by mathematical transformation ofab initioforce fields and structures
Author:
Publisher
Wiley
Subject
Computational Mathematics,General Chemistry
Reference22 articles.
1. On the use of conformationally dependent geometry trends fromab initiodipeptide studies to refine potentials for the empirical force field CHARMM
2. W. E. Reiher 1985
3. Basis set and polarization function effects on optimized geometries and harmonic frequencies at the second‐order Mo/ller–Plesset perturbation level
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