Theoretical Conformational Analysis of Thiacrown Macrocycles
Author:
Affiliation:
1. Environmental Molecular Sciences Laboratory, Pacific Northwest National Laboratory, MS K8-91, P.O. Box 999, Richland, Washington 99352
Publisher
American Chemical Society (ACS)
Subject
Physical and Theoretical Chemistry
Link
https://pubs.acs.org/doi/pdf/10.1021/jp993188l
Reference80 articles.
1. A new technique to calculate low-energy conformations of cyclic molecules utilizing the ellipsoid algorithm and molecular dynamics: application to 18-crown-6
2. Normal coordinate analysis and force field of 18-crown-6
3. Consistent point-charges at the 18-crown-6 atoms from correlated ab initio calculations
4. Monte Carlo study of the conformation-dependent hydration of the 18-crown-6 macrocycle
5. Treatment of rotational isomers in free energy calculations. II. Molecular dynamics simulation study of 18‐crown‐6 in aqueous solution as an example of systems with large numbers of rotational isomeric states
Cited by 71 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. Exocyclic Coordination of Thiamacrocycles Leading to cis- and trans-Palladium(II) Complexes and a Tripalladium(II) Complex Incorporating Acetimidic Anhydride;Inorganic Chemistry;2020-10-13
2. Topomeric aza/thia cryptands: synthesis and theoretical aspects of in/out isomerism using n-alkyl bridging;Organic Chemistry Frontiers;2020
3. Probing magnetic fields by using non-contacting magnetoelectric effect-based magnetic field sensors;Ferroelectrics;2018-10-26
4. Coordination behaviors of a 23-membered NO4S2-macrocycle: Mononuclear silver(I) complex and conformational isomers of tetranuclear bis(macrocycle) mercury(II) complexes exhibiting exo- and endo/exocyclic coordination modes;Inorganica Chimica Acta;2018-10
5. Endo- and Exocyclic Coordination of a 20-Membered N2O2S2-Macrocycle and Cascade Complexation of a 40-Membered N4O4S4-Macrocycle;Inorganic Chemistry;2018-05-03
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