Ab Initio Molecular Dynamics 2024 pdf epub mobi 电子书 图书描述 Ab initio molecular dynamics revolutionized the field of realistic computer simulation of complex molecular systems and processes, including chemical reactions, by unifying molecular dynamics and electronic structure theory. This book provides ...
View PDF select article Preface EditorialNo access Preface Perla B. Balbuena, Jorge M. Seminario Pages v-vii select article Chapter 1 - Methods of incorporating quantum mechanical calculations into molecular dynamics simulations Book chapterNo access ...
View PDF View chapter About the book Description Molecular Dynamics in Biosystems: The Kinetics of Tracers in Intact Organisms focuses on the measurement of the transport and turnover of molecules in an intact biological organism, emphasizing the kinetics of tracers, which is the primary tool used ...
分子动力学(Molecular Dynamics,简称MD)模拟就是在给定的分子势 ...DOC,分子动力学模拟及其在冶金炉渣 中的研究应用 佟志芳,肖成,魏战龙 (江西理工大学冶金与化学工程学院 江西 赣州 341600) 摘要:本文详细阐述了分子动力学模拟的发展历程,分子动力学模拟的基本原
molecular dynamics methods have proved themselves indispensable in both pure and applied research. This book is a blend of tutorial and recipe collection, providing both an introduction to the subject for beginners and a reference manual for the more experienced practitioner. It is organized as a se...
Salmon, Molecular Dynamics Simu- lations of Disordered Materials: From Network Glasses to Phase-Change Memory Alloys, Springer Series in Materials Science, Springer International Publishing, 2015.C. Massobrio, J. Du, M. Bernasconi, and P. S. Salmon, Molecular Dynamics Simulations of Disordered ...
Molecular Dynamics Modeling of the Molecular Transport Through a Nanpore Book Title Micro Total Analysis Systems 2001 Book Subtitle Proceedings of the µTAS 2001 Symposium, held in Monterey, CA, USA 21–25 October, 2001 Pages pp 203-204 Copyright 2001 DOI 10.1007/978-94-010-1015-3_89 Prin...
Molecular Reaction Dynamics[分子反应动力学] 作者:Raphael D. Levine(拉斐尔·D·莱文)著 出版社:Cambridge University Press 出版时间:2012-01 版次:1 ISBN:9780521140713 定价:766.00 装帧:平装 开本:16开 纸张:铜版纸 页数:568页 正文语种:英语 内容简介: ...
molecular dynamics density functional theory atomic clusters lithium metal clusters sodium metal clusters geometrical structures sodium clusters neutral boron clusters charged boron clusters crystalline boron carbon clusters modelling nanostructures nano-sheets graphene nanoribbons nanotubes fuller...
分子动力学方法(molecular dynamics, md) 计算机分子模拟 (Molecular Simulation) 计算机分子模拟的部分应用领域: 生物、制药: 大分子性质、药物设计 力学、物理学: 应力与裂纹扩展、团簇研究 化学、化工: 溶液理论、吸附、界面化学 微电子、微机械: 半导体工艺、微加工、 超薄膜润滑: 地质、矿产: 地核动力学、熔融...