APT a next generation QM-based reactive force field model-Reference-Cited by-同舟云学术

登录注册会员服务联系我们

APT a next generation QM-based reactive force field model

Published:2007-01-20 Issue:2-3 Volume:105 Page:301-324
ISSN:0026-8976
Container-title:Molecular Physics
language:en
Short-container-title:Molecular Physics

Author:

Rappé A. K.,Bormann-Rochotte L. M.,Wiser D. C.,Hart J. R.,Pietsch M. A.,Casewit C. J.,Skiff W. M.

Publisher

Informa UK Limited

Subject

Physical and Theoretical Chemistry,Condensed Matter Physics,Molecular Biology,Biophysics

Link

http://www.tandfonline.com/doi/pdf/10.1080/00268970701201106

Reference97 articles.

1. Quantitative predictions of steric acceleration

2. Quantitative modeling of proximity effects on organic reactivity

3. Transition states from empirical force fields

4. ReaxFF: A Reactive Force Field for Hydrocarbons

Cited by 24 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. Stabilization of Charge-Transfer Excited States in Biological Systems: A Computational Focus on the Special Pair in Photosystem II Reaction Centers;The Journal of Physical Chemistry Letters;2024-04-09

2. How Aqueous Solvation Impacts the Frequencies and Intensities of Infrared Absorption Bands in Flavin: The Quest for a Suitable Solvent Model;Molecules;2024-01-20

3. MODELOS DE INTERACCIONES ATÓMICAS EN MECÁNICA MOLECULAR;Revista de la Facultad de Ciencias;2024-01-01

4. Next‐Generation Vitrimers Design through Theoretical Understanding and Computational Simulations;Advanced Science;2023-12-07

5. Extending multi-layer energy-based fragment method for excited-state calculations of large covalently bonded fragment systems;The Journal of Chemical Physics;2023-01-24

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