Molecular structure, vibrational spectroscopic (FT-IR, FT-Raman),UV-Vis spectra, first order hyperpolarizability, NBO analysis, HOMO and LUMO analysis, thermodynamic properties of 2,6-dichloropyrazine by ab inito HF and density functional method-Reference-Cited by-同舟云学术

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Molecular structure, vibrational spectroscopic (FT-IR, FT-Raman),UV-Vis spectra, first order hyperpolarizability, NBO analysis, HOMO and LUMO analysis, thermodynamic properties of 2,6-dichloropyrazine by ab inito HF and density functional method

Published:2013-06 Issue:1 Volume:4 Page:1-17
ISSN:2075-1303
Container-title:Journal of Atomic and Molecular Sciences
language:
Short-container-title:JAMS

Author:

Chaitanya K.

Publisher

Global Science Press

Cited by 6 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. DFT analysis on the reaction mechanism of Diels-Alder reaction between 2,4-hexane-1-ol and maleic anhydride;Computational and Theoretical Chemistry;2023-04

2. Non-linear optical properties of polystyrene and polyvinyl alcohol composites with 4-methoxy-1-naphthol;Zeitschrift für Physikalische Chemie;2020-10-26

3. Unusual octahedral Hg(II) dithiocarbamate: Synthesis, spectral and structural studies on Hg(II) complexes with pyrrole based dithiocarbamates and their utility for the preparation of α- and β-HgS;Polyhedron;2016-11

4. Solvent Effect on Electronic Transitions, Homo Lumo Analysis of 2,6-Dichloro-3-Nitro Pyridine Under Hartee-Fock and Density Functional Theory;Springer Proceedings in Physics;2016-10-21

5. Synthesis, spectroscopic characterization, X-Ray analysis, and DFT-HF calculations of 5-ethoxymethyl-8-hydroxyquinoline;Optical and Quantum Electronics;2016-01-25

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