1、Introduction to COMPASS Forcefield Liang Taining, Yang Xiaozhen (Center for Molecsclar Science, Institute of Chemistry, Beijing 100080) Abstrat COMPASS forcefield is the new kind forcefield developed for the Condensed-phase Optimized Molecular Potentials. It is the first ab initio forcefield ...
Key words COMPASS, Molecular forcefield 摘要COMPASS力场是最近发展的适合凝聚态应用的一个全新的分子力场。它是第一个基于从头计算、能够准确预报孤立态和凝聚态分子的分子结构、构象、振动、热力学性质的分子力场。COMPASS力场也是第一个把以往分别处理的有机分子体系的力场与无机分子体系的力场统一的分子力场,能够模拟...
KeywordsCOMPASS,Molecularforcefield 摘要COMPASS力场是最近发展的适合凝合态应用的一个全新的分子力场。它是第 一个基于从头计算、能够精确预报孤立态和凝合态分子的分子结构、构象、振动、 热力学性质的分子力场。COMPASS力场也是第一个把以往分别处理的有机分子体 系的力场与无机分子体系的力场统一的分子力场,能够模拟...
areemerged and become omnipresent on the policy and research[translate] aCOMPASS force field is a powerful force field supporting atomistic simulations of condensed phase materials. 指南针力场是支持浓缩的阶段材料的原子论模仿的一个强有力的力场。[translate]...
Validation of the COMPASS force field for complex inorganic–organic hybrid polymers doi:10.1007/s10971-016-4185-y 浦华简介 深圳浦华系统技术有限公司专注于能源化工和生命科学领域信息化的开拓与创新。浦华作为达索系统(Dassault Systèmes)的合作伙伴,基于达索系统的BIOVIA系列产品,向材料、化学、生物领域广大用户...
Thesaurus Acronyms Encyclopedia Wikipedia Related to gyrocompass:gyroscope,magnetic compass gy·ro·com·pass (jī′rō-kŭm′pəs, -kŏm′-) n. A compass with a motorized gyroscope whose angular momentum interacts with the force produced by the earth's rotation to maintain a north-south or...
a电气小间 Electrical small space [translate] ause of the COMPASS force field [19], which was optimized for the 对指南针力场(19的)用途,为被优选 [translate] 英语翻译 日语翻译 韩语翻译 德语翻译 法语翻译 俄语翻译 阿拉伯语翻译 西班牙语翻译 葡萄牙语翻译 意大利语翻译 荷兰语翻译 瑞典语翻译 希腊语...
COMPASS,Molecularforcefield摘要COMPASS力场是最近发展的适合凝聚态应用的一个全新的分子力场。它是第一个基于从头计算、能够准确预报孤立态和凝聚态分子的分子结构、构象、振动、热力学性质的分子力场。COMPASS力场也是第一个把以往...
The COMPASS force field has been successfully applied in a large number of materials simulations, including the analysis of structural, electrical, thermal, and mechanical properties of carbon nanoparticles. This force field has been parameterized using quantum mechanical data and is based on hundreds ...
The simulation of the Octaphenyl Silsesquioxane(OPS) in the polypropylene(PP) composites was carried out by use of the molecular dynamics simulation and the COMPASS force field. 利用分子动力学和COMPASS力场相结合的方法,求得八苯基倍半硅氧烷(OPS)粒子在聚丙烯(PP)体系中的扩散系数。 2) Compass Techno...