Quantum Monte Carlo for noncovalent interactions: an efficient protocol attaining benchmark accuracy-Reference-Cited by-同舟云学术

登录注册会员服务联系我们

Quantum Monte Carlo for noncovalent interactions: an efficient protocol attaining benchmark accuracy

Published:2014-08-01 Issue:38 Volume:16 Page:20915-20923
ISSN:1463-9076
Container-title:Phys. Chem. Chem. Phys.
language:en
Short-container-title:Phys. Chem. Chem. Phys.

Author:

Dubecký Matúš,Derian René,Jurečka Petr,Mitas Lubos,Hobza Pavel,Otyepka Michal

Publisher

Royal Society of Chemistry (RSC)

Subject

Physical and Theoretical Chemistry,General Physics and Astronomy

Link

http://pubs.rsc.org/en/content/articlepdf/2014/CP/C4CP02093F

Reference55 articles.

1. P. Hobza and K.Müller-Dethlefs, Non-Covalent Interactions, The Royal Society of Chemistry, 2010

2. Stabilization and Structure Calculations for Noncovalent Interactions in Extended Molecular Systems Based on Wave Function and Density Functional Theories

3. The Importance of Inter- and Intramolecular van der Waals Interactions in Organic Reactions: the Dimerization of Anthracene Revisited

4. Aromatic Rings in Chemical and Biological Recognition: Energetics and Structures

5. Functionalization of Graphene: Covalent and Non-Covalent Approaches, Derivatives and Applications

Cited by 44 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. Diffusion Monte Carlo method for barrier heights of multiple proton exchanges and complexation energies in small water, ammonia, and hydrogen fluoride clusters;The Journal of Chemical Physics;2024-02-02

2. TurboGenius: Python suite for high-throughput calculations of ab initio quantum Monte Carlo methods;The Journal of Chemical Physics;2023-12-11

3. Toward accurate modeling of structure and energetics of bulk hexagonal boron nitride;Journal of Computational Chemistry;2023-09-22

4. Accuracy of Noncovalent Interactions Involving d-Elements by the 1-Determinant Fixed-Node Diffusion Monte Carlo Method with Effective Core Potentials;Journal of Chemical Theory and Computation;2023-02-08

5. Adsorption of atomic and molecular monolayers on Pt-supported graphene;Chemical Physics;2023-01

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