Computational Study of Noncovalent Complexes between Formamide and Formic Acid
Author:
Affiliation:
1. Lehrstuhl für Organische Chemie II, Ruhr-Universität Bochum, D-44780 Bochum, Germany, and Laboratorio de Química Computacional y Teórica, Facultad de Química, Universidad de la Habana, 10400, Cuba
Publisher
American Chemical Society (ACS)
Subject
Physical and Theoretical Chemistry
Link
https://pubs.acs.org/doi/pdf/10.1021/jp0553636
Reference45 articles.
1. Geometrical consequences of intermolecular hydrogen bond formation in the formic acid and acetic acid dimers from ab initio MO calculations
2. Potential energy and free energy surfaces of the formic acid dimer: Correlated ab initio calculations and molecular dynamics simulationsElectronic supplementary information (ESI) available: Optimised geometries of the structures in Tables 1 and 2. See http://www.rsc.org/suppdata/cp/b1/b110872g/
3. Comparison of equilibrium reactions in the gaseous and liquid phases. A new, improved theoretical estimate
Cited by 22 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. Electronic Structure Insights into Noncovalent Interactions between Aromatic Heterocycles and Formic Acid;2024
2. Role of O–H⋯O/S conventional hydrogen bonds in considerable Csp2–H blue-shift in the binary systems of acetaldehyde and thioacetaldehyde with substituted carboxylic and thiocarboxylic acids;RSC Advances;2022
3. Intrinsic relative preference profile of pan-kinase inhibitor drug staurosporine towards the clinically occurring gatekeeper mutations in Protein Tyrosine Kinases;Computational Biology and Chemistry;2021-10
4. Experimental, DFT dimeric modeling and AIM study of H-bond-mediated composite vibrational structure of Chelidonic acid;Heliyon;2019-05
5. Theoretical Characterization of Hydrogen Bonding Interactions between RCHO (R = H, CN, CF3, OCH3, NH2) and HOR′(R′ = H, Cl, CH3, NH2, C(O)H, C6H5);Journal of Chemical Sciences;2015-07
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