Harmonic Vibrational Analysis in Delocalized Internal Coordinates
Author:
Affiliation:
1. Department of Chemistry, University of Aarhus, DK-8000 Aarhus, Denmark
Publisher
American Chemical Society (ACS)
Subject
Physical and Theoretical Chemistry,Computer Science Applications
Link
https://pubs.acs.org/doi/pdf/10.1021/ct100463a
Reference65 articles.
1. Application of SCF-SI theory to vibrational motion in polyatomic molecules
2. Vibrational multiconfiguration self-consistent field theory: Implementation and test calculations
3. A second quantization formulation of multimode dynamics
4. Vibrational coupled cluster theory
5. The Open State Gating Mechanism of Gramicidin A Requires Relative Opposed Monomer Rotation and Simultaneous Lateral Displacement
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