Water interactions with hydrophobic groups: Assessment and recalibration of semiempirical molecular orbital methods
Author:
Publisher
AIP Publishing
Subject
Physical and Theoretical Chemistry,General Physics and Astronomy
Link
http://aip.scitation.org/doi/pdf/10.1063/1.4886655
Reference67 articles.
1. Linear Scaling Self-Consistent Field Calculations with Millions of Atoms in the Condensed Phase
2. GPU Linear Algebra Libraries and GPGPU Programming for Accelerating MOPAC Semiempirical Quantum Chemistry Calculations
3. Semiempirical Quantum Chemical Calculations Accelerated on a Hybrid Multicore CPU–GPU Computing Platform
4. Simulation of Liquid Water Using Semiempirical Hamiltonians and the Divide and Conquer Approach
5. Semiempirical Self-Consistent Polarization Description of Bulk Water, the Liquid−Vapor Interface, and Cubic Ice
Cited by 16 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. Hydration effects on the vibrational properties of carboxylates: From continuum models to QM/MM simulations;Journal of Computational Chemistry;2023-06-10
2. A specific MNDO parameterization for water;The Journal of Chemical Physics;2023-01-21
3. Examination of the performance of semiempirical methods in QM/MM studies of the SN2-like reaction of an adenylyl group transfer catalysed by ANT4′;Theoretical Chemistry Accounts;2019-10-09
4. Semi-Empirical Born–Oppenheimer Molecular Dynamics (SEBOMD) within the Amber Biomolecular Package;Journal of Chemical Information and Modeling;2018-11-15
5. Quantum-chemical analysis of condensed monolayer phases of N-alkanoyl-substituted alanine at the air/water interface;Colloids and Surfaces A: Physicochemical and Engineering Aspects;2018-06
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