Prediction of Vibrational Spectra by Computational Chemistry. Ab initio Molecular Orbital Calculation of Vibrational Frequencies and infrared Intensities of Gas Phase Dichloromethane Molecules CH2Cl2, CHDCl2 and CD2Cl2.-Reference-Cited by-同舟云学术

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Prediction of Vibrational Spectra by Computational Chemistry. Ab initio Molecular Orbital Calculation of Vibrational Frequencies and infrared Intensities of Gas Phase Dichloromethane Molecules CH2Cl2, CHDCl2 and CD2Cl2.

Published:2002 Issue:2 Volume:1 Page:47-58
ISSN:1347-3824
Container-title:Journal of Computer Chemistry, Japan
language:
Short-container-title:J. Comput. Chem. Jpn.

Author:

TANABE Kazutoshi,MATSUMOTO Takatoshi,TSUZUKI Seiji

Publisher

Society of Computer Chemistry Japan

Subject

General Medicine

Link

http://www.jstage.jst.go.jp/article/jccj/1/2/1_2_47/_pdf

Reference15 articles.

1. Spectra-Structure Correlations in the Infra-Red Region

2. Identification of Chemical Structures from Infrared Spectra by Using Neural Networks

3. Harmonic Vibrational Frequencies: An Evaluation of Hartree−Fock, Møller−Plesset, Quadratic Configuration Interaction, Density Functional Theory, and Semiempirical Scale Factors

4. Infrared spectra of Dewar 4-picoline in low-temperature argon matrices and vibrational analysis by DFT calculation

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