AB initio calculations of structural features not easily amenable to experiment
Author:
Publisher
Elsevier BV
Subject
Physical and Theoretical Chemistry,Condensed Matter Physics,Biochemistry
Reference29 articles.
1. Theoretical evaluation of the effect of electron-withdrawing substituents on carbocation stabilities. Delocalization of charge to the carbonyl and cyano groups
2. Influence of an .alpha.-cyano function on charge delocalization in the benzyl cation. Relationship between inductive destabilization and conjugative stabilization by the cyano group
3. Substituent effects on the acidity of the acetylenic proton: An AB initio study
4. Proton affinities of substituted cyanides
5. A theoretical study of adiabatic proton transfer to simple substituted nitriles in their ground and excited states
Cited by 9 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. Photoionization spectroscopy of CH3C3N in the vacuum-ultraviolet range;Journal of Molecular Spectroscopy;2015-09
2. Ab initio, DFT and experimental studies on the IR spectra and structure of propanedinitrile (malononitrile) and its carbanion;Journal of Molecular Structure: THEOCHEM;2003-05
3. NIST-JANAF Thermochemical Tables. I. Ten Organic Molecules Related to Atmospheric Chemistry;Journal of Physical and Chemical Reference Data;2001-03
4. Accurate structures of simple dicyanides;Journal of Molecular Structure;1996-02
5. The equilibrium C-H bond length;Structural Chemistry;1994-02
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