Vibrational spectral investigation, NBO, first hyperpolarizability and UV–Vis spectral analysis of 3,5-dichlorobenzonitrile and m-bromobenzonitrile by ab initio and density functional theory methods-Reference-Cited by-同舟云学术

Vibrational spectral investigation, NBO, first hyperpolarizability and UV–Vis spectral analysis of 3,5-dichlorobenzonitrile and m-bromobenzonitrile by ab initio and density functional theory methods

Published:2015-02 Issue: Volume:136 Page:234-246
ISSN:1386-1425
Container-title:Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy
language:en
Short-container-title:Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy

Author:

Senthil kumar J.,Jeyavijayan S.,Arivazhagan M.

Publisher

Elsevier BV

Subject

Spectroscopy,Instrumentation,Atomic and Molecular Physics, and Optics,Analytical Chemistry

Reference41 articles.

1. Simulation of IR and Raman spectra based on scaled DFT force fields: a case study of 2-(methylthio)benzonitrile, with emphasis on band assignment

2. Substituent Effects on Redox Properties and Photoinduced Electron Transfer in Isoxazolo-Fullerenes

3. Theoretical surface-enhanced Raman spectra study of substituted benzenes

4. Theoretical surface-enhanced Raman spectra study of substituted benzenes

5. Molecular structure and vibrational spectra of 3-chloro-4-fluoro benzonitrile by ab initio HF and density functional method

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