Fundamental absorption frequencies and mean structures at vibrational ground state from quasi-classical direct ab initio MD: Triatomic molecule
Author:
Publisher
Elsevier BV
Subject
Physical and Theoretical Chemistry,General Physics and Astronomy
Reference22 articles.
1. A systematic study of molecular vibrational anharmonicity and vibration—rotation interaction by self-consistent-field higher-derivative methods. Asymmetric top molecules
2. The self-consistent-field approach to polyatomic vibrations
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4. Direct vibrational self-consistent field method: Applications to H2O and H2CO
5. IR and Raman intensities in vibrational spectra from direct ab initio molecular dynamics: D2O as an illustration
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1. Calculating Vibrational Excited State Absorptions with Excited State Constrained Minimized Energy Surfaces;The Journal of Physical Chemistry A;2023-06-19
2. Advances in Molecular Structure and Interaction Studies Using Near-Infrared Spectroscopy;Chemical Reviews;2015-09-10
3. Fundamental frequency from classical molecular dynamics;Physical Chemistry Chemical Physics;2015
4. The dielectric constant dependence of absorption intensities and wavenumbers of the fundamental and overtone transitions of stretching vibration of the hydrogen fluoride studied by quantum chemistry calculations;Journal of Molecular Structure;2012-06
5. Structures of Molecules in Ground and Excited Vibrational States from Quasiclassical Direct ab Initio Molecular Dynamics;The Journal of Physical Chemistry A;2010-05-10
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