Experimental and Theoretical Investigation of the Geometry and Vibrational Frequencies of 1,2,3-Triazole, 1,2,4-Triazole, and Tetrazole Anions-Reference-Cited by-同舟云学术

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Experimental and Theoretical Investigation of the Geometry and Vibrational Frequencies of 1,2,3-Triazole, 1,2,4-Triazole, and Tetrazole Anions

Published:1998-01-01 Issue:3 Volume:102 Page:620-629
ISSN:1089-5639
Container-title:The Journal of Physical Chemistry A
language:en
Short-container-title:J. Phys. Chem. A

Author:

El-Azhary A. A.¹,Suter H. U.²,Kubelka J.³

Affiliation:

1. Chemistry Department, Cairo University, Giza, Egypt

2. Institut für Physikalische und Theoretische Chemie, Universität Bonn, Wegelerstrasse 12, D-53115 Bonn, Germany

3. Department of Chemistry(M/C 111), University of Illinois at Chicago, 845 W. Taylor Street, Chicago, Illinois 60607-7061

Publisher

American Chemical Society (ACS)

Subject

Physical and Theoretical Chemistry

Link

https://pubs.acs.org/doi/pdf/10.1021/jp9719568

Reference40 articles.

1. Ab Initio Calculation of Vibrational Absorption and Circular Dichroism Spectra Using Density Functional Force Fields

2. Comparison between Optimized Geometries and Vibrational Frequencies Calculated by the DFT Methods

3. Density functional theory calculations of molecular structures and harmonic vibrational frequencies using hybrid density functionals

4. Ab Initio Calculation of Vibrational Absorption and Circular Dichroism Spectra: 6,8-Dioxabicyclo[3.2.1]octane

5. The performance of a family of density functional methods

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1. Structure determination and magnetic studies of triazole chelated Co(II) coordination polymers;Journal of the Chinese Chemical Society;2023-04-10

2. Structure and IR spectroscopic properties of complexes of 1,2,4-triazole and 3-amino-1,2,4-triazole with dinitrogen isolated in solid argon;Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy;2023-01

3. Analysis on molecular, spectroscopic and electronic behavior of 4,4'-(butane-1,4-diyl)bis(1-((1-(4-chlorobenzyl)-1H-1,2,3-triazol-5-yl)methyl)-3-methyl-1H-1,2,4-triazol-5(4H)-one): A theoretical approach;Journal of Molecular Structure;2018-12

4. Environment-dependent conformation investigation of 3-amino-1,2,4-triazole (3-AT): Raman Spectroscopy and density functional theory;Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy;2018-02

5. Crystal structure, spectroscopic, electronic, luminescent and nonlinear optical properties of (S)-4-Amino-5-(1-hydroxy-ethyl)-2,4-dihydro-[1,2,4]triazole-3-thione: A combined experimental and DFT study;Journal of Physics and Chemistry of Solids;2017-11

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