Revealing the physical nature and the strength of charge-inverted hydrogen bonds by SAPT(DFT), MP2, SCS-MP2, MP2C, and CCSD(T) methods
Author:
Affiliation:
1. Department of Chemistry; Tarbiat Modares University; P.O. Box 14115-175 Tehran Iran
2. Department of Quantum Chemistry, Faculty of Chemistry; Nicolaus Copernicus University in Toruń; 7-Gagarina St Toruń 87-100 Poland
Funder
Narodowe Centrum Nauki
Interdisciplinary Centre for Mathematical and Computational Modelling at the University of Warsaw
Publisher
Wiley
Subject
Computational Mathematics,General Chemistry
Reference88 articles.
1. Intermolecular forces from asymptotically corrected density functional description of monomers
2. First-order intermolecular interaction energies from Kohn–Sham orbitals
3. Intermolecular induction and exchange-induction energies from coupled-perturbed Kohn–Sham density functional theory
4. Intermolecular dispersion energies from time-dependent density functional theory
5. The helium dimer potential from a combined density functional theory and symmetry-adapted perturbation theory approach using an exact exchange–correlation potential
Cited by 18 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. Study of Beryllium, Magnesium, and Spodium Bonds to Carbenes and Carbodiphosphoranes;Molecules;2021-04-14
2. Hydrosilylation and Hydrogermylation of CO 2 and CS 2 by Al and Ga Functionalized Silanes and Germanes – Cooperative Reactivity with Formation of Silyl Formates and Disilylacetals;European Journal of Inorganic Chemistry;2020-09-17
3. The formation of H···X hydrogen bond, C···X carbon-halide or Si···X tetrel bonds on the silylene-halogen dimers (X = F or Cl): intermolecular strength, molecular orbital interactions and prediction of covalency;Theoretical Chemistry Accounts;2020-07-15
4. Study of the influence of intermolecular interaction on classical and reverse substituent effects in para-substituted phenylboranes;New Journal of Chemistry;2020
5. Ten years of charge-inverted hydrogen bonds;Structural Chemistry;2019-12-18
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