Direct Scaling of Primitive Valence Force Constants: An Alternative Approach to Scaled Quantum Mechanical Force Fields
Author:
Affiliation:
1. Department of Chemistry, University of Arkansas, Fayetteville, Arkansas 72701
Publisher
American Chemical Society (ACS)
Subject
Physical and Theoretical Chemistry
Link
https://pubs.acs.org/doi/pdf/10.1021/jp980038m
Reference78 articles.
1. Ab initiocalculation of force constants and equilibrium geometries in polyatomic molecules
2. Ab initio calculation of the force field of ethylene
3. Near Hartree—Fock Calculations of the Force Constants and Dipole Moment Derivatives in Methane
4. Hartree-Fock calculation of the harmonic force constants and equilibrium geometry of formaldehyde
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