Atomic charge and atomic dipole modeling of gas-phase infrared intensities of fundamental bands for out-of-plane CH and CF bending vibrations
Author:
Publisher
Elsevier BV
Subject
Spectroscopy,Instrumentation,Atomic and Molecular Physics, and Optics,Analytical Chemistry
Reference26 articles.
1. An atomic charge-charge flux-dipole flux atom-in-molecule decomposition for molecular dipole-moment derivatives and infrared fundamental intensities;Haiduke;J. Phys. Chem. A,2005
2. Atoms in molecules.: A Quantum Theory;Bader,1990
3. Characteristic infrared intensities of carbonyl stretching vibrations;Richter;Phys. Chem. Chem. Phys.,2016
4. How accessible is atomic charge information from infrared intensities? a QTAIM/CCFDF interpretation;Silva;J. Phys. Chem. A,2012
5. Atomic charge transfer-counter polarization effects determine infrared CH intensities of hydrocarbons: A quantum theory of atoms in molecules model;Silva;Phys. Chem. Chem. Phys.,2014
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