Implications of the virial theorem for quantum-chemical calculations of vibrational frequencies and equilibrium distances
Author:
Publisher
Elsevier BV
Subject
Physical and Theoretical Chemistry,General Physics and Astronomy
Reference5 articles.
1. Ab initio molecular orbital theory;Hehre,1986
2. Toward Understanding Vibrations of Polyatomic Molecules
3. Vibrational Potential Functions for CO2, OCS, HCN, and N2O
4. Toward an Understanding of Potential‐Energy Functions for Diatomic Molecules
5. Three-dimensional bond-charge models for potential curves of diatomic molecules
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1. On the functional representation of bond energy functions;Journal of Computational Chemistry;1994-09
2. Application of potential constants: Electronic chemical potentials of polyatomic molecules—VIII;Spectrochimica Acta Part A: Molecular Spectroscopy;1994-06
3. An Exchange Charge Model for Covalent Bonds in Simple Homonuclear Diatomic Molecules;Journal of the Chinese Chemical Society;1994-04
4. Virial theorem constraints on n-body terms of potential energy surfaces;Chemical Physics Letters;1993-04
5. Virial theorem decomposition of potential-energy surfaces. Analysis of the double many-body expansion ground-state surface of Li3;Journal of the Chemical Society, Faraday Transactions;1993
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