Evaluation of pseudopotential terms for the vibrational Hamiltonian of small ring molecules
Author:
Publisher
Elsevier BV
Subject
Physical and Theoretical Chemistry,Spectroscopy,Atomic and Molecular Physics, and Optics
Reference6 articles.
1. General Internal Motion of Molecules, Classical and Quantum‐Mechanical Hamiltonian
2. Far-infrared spectra of ring compounds: A semi-rigid model for the ring-puckering vibration in some pseudo-four-membered ring molecules
3. Calculation of kinetic energy terms for the vibrational Hamiltonian: Application to large-amplitude vibrations using one-, two-, and three-dimensional models
4. Vector representation of large-amplitude vibrations for the determination of kinetic energy functions
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4. DFT and MP2 ring puckering potential functions, vibrational analysis and comparison with experiment for 3-chloro-1,3-thiaphosphetane 3-oxide, 3-sulfide and 1,3-dithietane 1,1-dioxide;Journal of Molecular Structure;2008-03
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