Dynamics of molecules and chemical reactions
Dynamics of molecules and chemical reactions
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DOI：
10.5860/choice.34-3864
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发表时间：
1996
期刊：
影响因子：
--
通讯作者：
R. Wyatt;J. H. Zhang
中科院分区：
文献类型：
--
作者：
R. Wyatt;J. H. Zhang
光谱、速率和分子内动力学描述量化的分子内振动能流的分子光谱和动力学的量子力学研究：动作扩散，定位，和标度正则货车Vleck微扰理论及其在多原子分子高振动激发态研究中的应用气相和气相含时量子动力学表面反应用于散射计算的新方法：光谱投影方法和稳定化方法与时间无关的波包分布近似泛函方法过渡态理论的量子动力学计算光谱学：确定化学反应速率的严格量子方法反应动力学中的几何相非绝热跃迁：除了出生-Oppenheimer半经典动力学在化学反应中的应用非线性经典动力学和单分子反应活化速率理论的经典轨线方法流程.
Spectra, rates, and intranolecular dynamics quantum mechanical studies of molecular spectra and dynamics picturing quantized intranolecular vibrational energy flow: action diffusion, localization, and scaling canonical Van Vleck perturbation theory and its application to studies of highly vibrationally excited states of polyatomic molecules quantum molecular dynamics on grids time-dependent quantum dynamics for gas-phase and gas-surface reactions new methods for use in scattering calculations: the spectral projection method and the stabilization method time-independent wave-packet-distributed approximating functional approach to quantum dynamics computational spectroscopy of the transition state theory: rigorous quantum approaches for determining chemical reaction rates the geometric phase in reaction dynamics nondiabatic transitions: beyond Born-Oppenheimer application of semiclassical dynamics to chemical reactions nonlinear classical dynamics and unimolecular reactions the classical trajectory approach to reaction dynamics theory of activated rate processes.