Vibrational analysis of the spectra of 1,3,4-oxadiazole, 1,3,4-thiadiazole, 1,2,5-oxadiazole and 1,2,5-thiadiazole: comparison between DFT, MP2 and HF force fields-Reference-Cited by-同舟云学术

Vibrational analysis of the spectra of 1,3,4-oxadiazole, 1,3,4-thiadiazole, 1,2,5-oxadiazole and 1,2,5-thiadiazole: comparison between DFT, MP2 and HF force fields

Published:1996-01 Issue:1 Volume:52 Page:33-44
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:

El-Azhary Adel A

Publisher

Elsevier BV

Subject

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

Reference36 articles.

1. Ab initio calculations of vibrational spectra and their use in the identification of unusual molecules

2. Ab initio Molecular Orbital Theory;Hehre,1986

3. Accurate ab initio prediction of molecular geometries and spectroscopic constants, using SCF and MP2 energy derivatives

4. The accurate calculation of molecular properties by ab initio methods

Cited by 39 articles. 订阅此论文施引文献订阅此论文施引文献，注册后可以免费订阅5篇论文的施引文献，订阅后可以查看论文全部施引文献

1. Intermolecular Stabilization of 3,3′-Diamino-4,4′-azoxyfurazan (DAAF) Compressed to 20 GPa;The Journal of Physical Chemistry A;2014-07-23

2. Electron-transporting semi-rigid polyester-imides made up of a tetracarboxdiimide ofp-terphenyl analogue of 1,3,4-oxadiazole: Preparation, and thermal, optical, and electrochemical properties;Journal of Applied Polymer Science;2012-04-11

3. Thiadiazoles;Modern Heterocyclic Chemistry;2011-07-27

4. 1,3,4-Thiadiazoles;Comprehensive Heterocyclic Chemistry III;2008

5. 1,2,5-Thiadiazoles;Comprehensive Heterocyclic Chemistry III;2008