Modern theoretical chemistry: the legacy of Prof. John N. Murrell.
作者信息
Stace Anthony J, Clary David C
机构信息
School of Chemistry, University of Nottingham, University Park, Nottingham NG7 2RD, UK
Department of Physical and Theoretical Chemistry, University of Oxford, South Parks Road, Oxford OX1 3QZ, UK.
出版信息
Philos Trans A Math Phys Eng Sci. 2018 Mar 13;376(2115). doi: 10.1098/rsta.2017.0460.
Abstract
摘要
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本文引用的文献
1
Probing the rate-determining region of the potential energy surface for a prototypical ion-molecule reaction.探索典型离子-分子反应势能面的速率决定区域。
Philos Trans A Math Phys Eng Sci. 2018 Mar 13;376(2115). doi: 10.1098/rsta.2017.0146.
2
(=2-4): current status.（=2 - 4）：当前状态。
Philos Trans A Math Phys Eng Sci. 2018 Mar 13;376(2115). doi: 10.1098/rsta.2017.0145.
3
Dynamic simulations of many-body electrostatic self-assembly.多体静电自组装的动态模拟
Philos Trans A Math Phys Eng Sci. 2018 Mar 13;376(2115). doi: 10.1098/rsta.2017.0143.
4
Accessing the molecular frame through strong-field alignment of distributions of gas phase molecules.通过气相分子分布的强场排列来获取分子框架。
Philos Trans A Math Phys Eng Sci. 2018 Mar 13;376(2115). doi: 10.1098/rsta.2017.0158.
5
Interactions of C( ) with rare gas atoms: incipient chemical interactions, potentials and transport coefficients.碳（）与稀有气体原子的相互作用：初始化学相互作用、势能和传输系数。
需注意，原文中“C( )”括号内内容缺失，翻译可能会不太准确。
Philos Trans A Math Phys Eng Sci. 2018 Mar 13;376(2115). doi: 10.1098/rsta.2017.0156.
6
Isomers and energy landscapes of micro-hydrated sulfite and chlorate clusters.微水合亚硫酸盐和氯酸盐团簇的异构体与能量景观
Philos Trans A Math Phys Eng Sci. 2018 Mar 13;376(2115). doi: 10.1098/rsta.2017.0154.
7
Hartree-Fock implementation using a Laguerre-based wave function for the ground state and correlation energies of two-electron atoms.使用基于拉盖尔函数的波函数对双电子原子的基态和相关能量进行哈特里-福克计算。
Philos Trans A Math Phys Eng Sci. 2018 Mar 13;376(2115). doi: 10.1098/rsta.2017.0153.
8
Quantum chemical study of the structure, spectroscopy and reactivity of NO.(HO) clusters.NO·(HO)团簇的结构、光谱及反应活性的量子化学研究
Philos Trans A Math Phys Eng Sci. 2018 Mar 13;376(2115). doi: 10.1098/rsta.2017.0152.
9
Statistical mechanics of binary mixture adsorption in metal-organic frameworks in the osmotic ensemble.渗透系综中金属有机框架内二元混合物吸附的统计力学
Philos Trans A Math Phys Eng Sci. 2018 Mar 13;376(2115). doi: 10.1098/rsta.2017.0151.
10
Kinetics and dynamics of near-resonant vibrational energy transfer in gas ensembles of atmospheric interest.大气相关气体团簇中近共振振动能量转移的动力学与动态特性
Philos Trans A Math Phys Eng Sci. 2018 Mar 13;376(2115). doi: 10.1098/rsta.2017.0150.
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