Spectroscopic investigation, natural bond orbital analysis, HOMO–LUMO and thermodynamic functions of 2-tert-butyl-5-methyl anisole using DFT (B3LYP) calculations-Reference-Cited by-同舟云学术

Spectroscopic investigation, natural bond orbital analysis, HOMO–LUMO and thermodynamic functions of 2-tert-butyl-5-methyl anisole using DFT (B3LYP) calculations

Published:2015-02 Issue: Volume:136 Page:451-463
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:

Balachandran V.,Santhi G.,Karpagam V.,Revathi B.,Karabacak M.

Publisher

Elsevier BV

Subject

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

Reference63 articles.

1. Ullmann’s Encyclopedia of Industrial Chemistry;Fiege,2002

2. Application of the nitroanisole as an infrared detector used in middle infrared interferometer

3. Individual CH bond strengths in simple organic compounds: effects of conformation and substitution

4. Physical meaning of electrooptical parameters derived from infrared intensities

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