Spectroscopic (FT-IR, FT-Raman), first order hyperpolarizability, NBO analysis, HOMO and LUMO analysis of 5-tert-Butyl-6-chloro-N-[(4-(trifluoromethyl)phenyl]pyrazine-2-carboxamide-Reference-Cited by-同舟云学术

Spectroscopic (FT-IR, FT-Raman), first order hyperpolarizability, NBO analysis, HOMO and LUMO analysis of 5-tert-Butyl-6-chloro-N-[(4-(trifluoromethyl)phenyl]pyrazine-2-carboxamide

Published:2015-02 Issue: Volume:137 Page:193-206
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:

Bhagyasree J.B.,Varghese Hema Tresa,Panicker C. Yohannan,Van Alsenoy Christian,Al-Saadi Abdulaziz A.,Dolezal Martin,Samuel Jadu

Publisher

Elsevier BV

Subject

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

Reference64 articles.

1. Vibrational spectroscopic and quantum chemical study of the chlorine substitution of pyrazine

2. Assessment of worldwide tuberculosis control

3. Current and Potential Treatment of Tuberculosis

4. Vibrational spectroscopic study of two dimensional polymer compounds of pyrazinamide

5. The dynamical pattern of the 2-aminopyrazine-3-carboxylic acid molecule by inelastic and incoherent neutron scattering, Raman spectroscopy and ab initio calculations

Cited by 13 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. Quantum chemical, spectroscopic and molecular docking investigations of potential pulmonary fibrosis drug methyl 2‐chloro 4‐iodonicotinate;Journal of Molecular Recognition;2022-11-17

2. Molecular structure, vibrational spectroscopic, frontier molecular orbital and natural bond orbital analysis of anti-cancer drug 6-chloro-3- pyridine carbonitrile;Spectroscopy Letters;2021-06-26

3. Exploring the Mechanism of Liquid Smoke and Human Taste Perception Based on the Synergy of the Electronic Tongue, Molecular Docking, and Multiple Linear Regression;Food Biophysics;2020-07-13

4. Synthesis, Experimental and Theoretical Characterization of Novel Pyrimidine‐5‐Carboxamides;ChemistrySelect;2019-04-25

5. Synthesis of low surface-energy polyepichlorohydrin triazoles thin film;Journal of Colloid and Interface Science;2019-03