Unveiling Bifunctional Hydrogen Bonding with the Help of Quantum Chemistry: The Imidazole-Water Adduct as Test Case
Author:
Affiliation:
1. Scuola Normale Superiore, Piazza dei Cavalieri 7, 56126 Pisa, Italy
2. Dipartimento di Chimica “Giacomo Ciamician”, Università di Bologna, Via Selmi 2, 40126 Bologna, Italy
Funder
Ministero dell'Istruzione, dell'Universit? e della Ricerca
Publisher
American Chemical Society (ACS)
Subject
Physical and Theoretical Chemistry
Link
https://pubs.acs.org/doi/pdf/10.1021/acs.jpca.1c01679
Reference60 articles.
1. Theory Meets Experiment for Noncovalent Complexes: The Puzzling Case of Pnicogen Interactions
2. Unveiling the Sulfur-Sulfur Bridge: Accurate Structural and Energetic Characterization of a Homochalcogen Intermolecular Bond
3. Benchmark-Quality Semiexperimental Structural Parameters of van der Waals Complexes
4. Density Functional Theory for Microwave Spectroscopy of Noncovalent Complexes: A Benchmark Study
Cited by 14 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. Unbiased Comparison between Theoretical and Experimental Molecular Structures and Properties: Toward an Accurate Reduced-Cost Evaluation of Vibrational Contributions;Journal of Chemical Theory and Computation;2024-04-01
2. Accurate Geometries of Large Molecules by Integration of the Pisa Composite Scheme and the Templating Synthon Approach;The Journal of Physical Chemistry A;2024-02-13
3. Quantum chemistry meets high-resolution spectroscopy for characterizing the molecular bricks of life in the gas-phase;Physical Chemistry Chemical Physics;2024
4. Hunting for Complex Organic Molecules in the Interstellar Medium: The Role of Accurate Low-Cost Theoretical Geometries and Rotational Constants;The Journal of Physical Chemistry A;2023-11-30
5. Accurate thermochemistry at affordable cost by means of an improved version of the JunChS‐F12 model chemistry;Journal of Computational Chemistry;2023-07-11
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