Role of H-Optimization in the Computed Intermolecular Interactions and Charge-Transfer Integrals in Diketopyrrolopyrroles-Reference-Cited by-同舟云学术

登录注册会员服务联系我们

Role of H-Optimization in the Computed Intermolecular Interactions and Charge-Transfer Integrals in Diketopyrrolopyrroles

Published:2019-03-21 Issue:14 Volume:123 Page:3185-3193
ISSN:1089-5639
Container-title:The Journal of Physical Chemistry A
language:en
Short-container-title:J. Phys. Chem. A

Author:

Calvo-Castro Jesus¹^ORCID,Kennedy Alan R.²^ORCID,McHugh Callum J.³^ORCID

Affiliation:

1. School of Life and Medical Sciences, University of Hertfordshire, Hatfield AL10 9AB, U.K.

2. Department of Pure & Applied Chemistry, University of Strathclyde, Glasgow G1 1XL, U.K.

3. School of Computing, Engineering and Physical Sciences, University of the West of Scotland, Paisley PA1 2BE, U.K.

Publisher

American Chemical Society (ACS)

Subject

Physical and Theoretical Chemistry

Link

https://pubs.acs.org/doi/pdf/10.1021/acs.jpca.9b01275

Reference51 articles.

1. Non-covalent interactions in biomacromolecules

2. Using coordination chemistry to design new medicines

3. Calculations on Noncovalent Interactions and Databases of Benchmark Interaction Energies

4. Investigations into the Nature of Halogen Bonding Including Symmetry Adapted Perturbation Theory Analyses

5. Exploring structure based charge transport relationships in phenyl diketopyrrolopyrrole single crystals using a 2D π–π dimer model system

Cited by 2 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. Fast Quantum Approach for Evaluating the Energy of Non-Covalent Interactions in Molecular Crystals: The Case Study of Intermolecular H-Bonds in Crystalline Peroxosolvates;Molecules;2022-06-24

2. Understanding the Contribution of Individual Amino Acid Residues in the Binding of Psychoactive Substances to Monoamine Transporters;ACS Omega;2020-07-06

同舟云学术

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