Description of noncovalent interactions involving π‐system with high precision: An assessment of RPA, MP2, and DFT‐D methods-Reference-Cited by-同舟云学术

Description of noncovalent interactions involving π‐system with high precision: An assessment of RPA, MP2, and DFT‐D methods

Published:2019-04-02 Issue:17 Volume:40 Page:1643-1651
ISSN:0192-8651
Container-title:Journal of Computational Chemistry
language:en
Short-container-title:J Comput Chem

Author:

Su He¹^ORCID,Wang Hui¹^ORCID,Wang Hongyan¹,Lu Yunxiang²,Zhu Zhengdan³

Affiliation:

1. School of Physical Science and Technology, Key Laboratory of Advanced Technologies of Materials, Ministry of Education of ChinaSouthwest Jiaotong University Chengdu 611756 People's Republic of China

2. Key Laboratory for Advanced Materials and School of Chemistry & Molecular Engineering, Department of ChemistryEast China University of Science and Technology Shanghai 200237 People's Republic of China

3. CAS Key Laboratory of Receptor Research, Drug Discovery and Design Center, Shanghai Institute of Materia Medica, Chinese Academy of SciencesUniversity of Chinese Academy of Sciences Shanghai 201203 People's Republic of China

Funder

The National Natural Science Foundation of China

The Sichuan Province, Applied Science and Technology Project

Publisher

Wiley

Subject

Computational Mathematics,General Chemistry

Link

https://onlinelibrary.wiley.com/doi/pdf/10.1002/jcc.25817

Reference81 articles.

1. Cation−π Interaction: Its Role and Relevance in Chemistry, Biology, and Material Science

2. An assessment of the random-phase approximation functional and characteristics analysis for noncovalent cation–π interactions