首页> 外文OA文献 >Potential of Mean Force Calculations for an SN2 Fluorination Reaction in Five Different Imidazolium Ionic Liquid Solvents Using Quantum Mechanics/Molecular Mechanics Molecular Dynamics Simulations

【2h】

Potential of Mean Force Calculations for an SN2 Fluorination Reaction in Five Different Imidazolium Ionic Liquid Solvents Using Quantum Mechanics/Molecular Mechanics Molecular Dynamics Simulations

机译：使用量子力学/分子力学分子动力学模拟五种不同咪唑鎓离子液溶剂中SN2氟化反应的平均力计算的潜力

代理获取

本网站仅为用户提供外文OA文献查询和代理获取服务，本网站没有原文。下单后我们将采用程序或人工为您竭诚获取高质量的原文，但由于OA文献来源多样且变更频繁，仍可能出现获取不到、文献不完整或与标题不符等情况，如果获取不到我们将提供退款服务。请知悉。

页面导航

著录项
引文网络
相似文献
相关主题

著录项

作者

展开▼
作者单位

展开▼
年度 -1
总页数
原文格式 PDF
正文语种
中图分类

相似文献

外文文献
中文文献
专利

1. Potential of Mean Force Calculations for an SN2 Fluorination Reaction in Five Different Imidazolium Ionic Liquid Solvents Using Quantum Mechanics/Molecular Mechanics Molecular Dynamics Simulations [J] . Joel Sánchez-Badillo, Marco Gallo, Ricardo A. Guirado-López, The journal of physical chemistry, B. Condensed matter, materials, surfaces, interfaces & biophysical . 2020,第21期

机译：使用量子力学/分子力学分子动力学模拟五种不同咪唑鎓离子液溶剂中SN2氟化反应的平均力计算的潜力
2. Temporal quantum mechanics/molecular mechanics: Extending the time scales accessible in molecular dynamics simulations of reactions [J] . Dayal P., Weyand S.A., McNeish J., Chemical Physics Letters . 2011,第4a6期

机译：时间量子力学/分子力学：扩展反应分子动力学模拟中可访问的时间尺度
3. Temporal quantum mechanics/molecular mechanics: Extending the time scales accessible in molecular dynamics simulations of reactions [J] . Dayal P., Weyand S.A., McNeish J., Chemical Physics Letters . 2011,第4a6期

机译：时间量子力学/分子力学：扩展反应分子动力学模拟中可访问的时间尺度
4. Force Field Refinement and Molecular Simulations of Imidazolium-Based Ionic Liquids [C] . Zhiping Liu, Wenchuan Wang American Chemical Society . 2007

机译：基于咪唑鎓离子液体的力域细化和分子模拟
5. Thermodynamics of Ionic Liquid Solvents in Gas Purification and Exfoliation Mechanisms: Molecular Dynamics Simulation and Monte Carlo Calculations [D] . Abedini, Asghar. 2018

机译：离子液体溶剂在气体净化和剥落机理中的热力学：分子动力学模拟和蒙特卡洛计算
6. From the Cover: Reaction intermediates during operando electrocatalysis identified from full solvent quantum mechanics molecular dynamics [O] . Tao Cheng, Alessandro Fortunelli, William A. Goddard III 2019

机译：从封面：操作电催化过程中的反应中间体从完全溶剂量子力学中识别出来
7. Molecular dynamics simulations of elementary chemical processes in liquid water using combined density functional and molecular mechanics potentials. II. Charge separation processes [O] . Strnad, M., Martins Costa, M.T.C., Millot, C., 1997

机译：结合密度泛函和分子力学势能对液态水中基本化学过程进行分子动力学模拟。二。电荷分离过程
8. Quantum Molecular Dynamics Simulation of Hypergolic Reactions Between an Energetic Ionic Liquid and Nitric Acid [R] . Sengupta, D., Cole, J. V. 2010

机译：含能离子液体与硝酸高压反应的量子分子动力学模拟

Potential of Mean Force Calculations for an SN2 Fluorination Reaction in Five Different Imidazolium Ionic Liquid Solvents Using Quantum Mechanics/Molecular Mechanics Molecular Dynamics Simulations

著录项

引文网络

相似文献

相关主题

期刊订阅