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United-atom force field is preferred by the sampling in some cases. 4. 使用联合原子力场在一定程度上可较好地避免这一问题。 www.fabiao.net 2. Super-high-order harmonic generation of a one dimensional united-atom by combined laser pulses 一维联合双原子在组合激光脉冲作用下的超高次谐波发射 www.ili...
For alkynes in particular, this work represents the first attempt at a systematic parameterization using the united-atom approach. Averaging over all 95 solute/solvent pairs tested, the mean signed deviation from experimental data is very close to zero, indicating no systematic error in the ...
united atom是什么意思 united atom在线翻译 united atom什么意思 united atom的意思 united atom的翻译 united atom的解释 united atom的发音 united atom的同义词手机查看united atom的意思,微信扫一扫页面右侧二维码,关注好工具hao86 后发送united atom 即可
base和group base的不同造成的，如果将基团看做group base，应该就属于united atom了吧？
United-atom approximation in the problem of Σ-Π transitions during close atomic collisions 来自 Semantic Scholar 喜欢 0 阅读量: 21 作者:YN Demkov,CV Kunasz,VN Ostrovskii 摘要: We consider a very simple approximation, in which the splitting of the energy of a P state in a united atom ...
All-atom (AA) or the united-atom (UA) force fields will be chosen because of the demand for more exact results or the lower computational cost, respectively. In order to make a systematic comparison of the two force fields, molecular simulations for four kinds of acyclic guanidinium-based ...
The united-atom (UA) force field (Siepmann and coworkers) and the anisotropic united-atom (AUA) force field (Toxvaerd) were used in this study. It is shown that the use of the recently readjusted versions of these potential forms together with the LorentzBerthelot mixing rules yields a ...
united-atom-approximation网络方法是在联合原子近似法网络释义 1. 方法是在联合原子近似法 该方法是在联合原子近似法(United-atom approximation)的基础上引进分子对称性修正,再利用一切分子点群G都是旋转一反演 …www.paper.edu.cn|基于1 个网页© 2025 Microsoft 隐私声明和 Cookie 法律声明 广告 帮助 反馈...
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