Ab initio HF and DFT simulations, FT-IR and FT-Raman vibrational analysis of α-chlorotoluene
Author:
Publisher
Elsevier BV
Subject
Spectroscopy,Instrumentation,Atomic and Molecular Physics, and Optics,Analytical Chemistry
Reference49 articles.
1. FT-Raman and FT-IR spectra, vibrational assignments and density functional studies of 5-bromo-2-nitropyridine
2. Study of methane, acetylene, ethene, and benzene using Kohn-Sham theory
3. Ab Initio Calculation of Vibrational Absorption and Circular Dichroism Spectra Using Density Functional Force Fields
4. Ab Initio Calculation of Vibrational Absorption and Circular Dichroism Spectra Using Density Functional Force Fields: A Comparison of Local, Nonlocal, and Hybrid Density Functionals
Cited by 46 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. Synthesis, characterisation, in silico molecular docking and DFT studies of 2,6-bis(4-hydroxy-3-methoxyphenyl)-3,5-dimethylpiperidin-4-one;Indian Journal of Chemistry;2023-10-18
2. A DFT and SERS study of synergistic roles of thermodynamics and kinetics during the electrocatalytic reduction of benzyl chloride at silver cathodes;Journal of Electroanalytical Chemistry;2022-06
3. Recyclable polymer-supported iridium-based photocatalysts for photoredox organic transformations;Journal of Catalysis;2022-03
4. Growth, characterisation and DFT investigations on 3-hydroxy-6- methyl -2- nitropyridine (3H6M2NP)-A novel third order nonlinear optical material;Journal of Molecular Structure;2021-12
5. Density functional theory calculations and Hirshfeld surface analysis of propyl-para-hydroxybenzoate (PHB) for optoelectronic application;Materials Science-Poland;2020-09-01
1.学者识别学者识别
2.学术分析学术分析
3.人才评估人才评估
"同舟云学术"是以全球学者为主线，采集、加工和组织学术论文而形成的新型学术文献查询和分析系统，可以对全球学者进行文献检索和人才价值评估。用户可以通过关注某些学科领域的顶尖人物而持续追踪该领域的学科进展和研究前沿。经过近期的数据扩容，当前同舟云学术共收录了国内外主流学术期刊6万余种，收集的期刊论文及会议论文总量共计约1.5亿篇，并以每天添加12000余篇中外论文的速度递增。我们也可以为用户提供个性化、定制化的学者数据。欢迎来电咨询！咨询电话：010-8811{复制后删除}0370
www.globalauthorid.com
TOP
Copyright © 2019-2024 北京同舟云网络信息技术有限公司 京公网安备11010802033243号 京ICP备18003416号-3