清华大学硕士论文博士论文格式及范文(12)

清华大学硕士论文博士论文格式及范文

符 号 对 照 表

Ea ZPE PES TS TST

G

IRC i ONIOM SCF SCRF

化学反应的活化能 (Activation Energy) 零点振动能 (Zero Vibration Energy) 势能面 (Potential Energy Surface) 过渡态 (Transition State)

过渡态理论 (Transition State Theory) 活化自由能(Activation Free Energy) 传输系数 (Transmission Coefficient)

内禀反应坐标 (Intrinsic Reaction Coordinates) 虚频 (Imaginary Frequency)

分层算法(Our own N-layered Integrated molecular Orbital and molecular Mechanics) 自洽场 (Self-Consistent Field)

自洽反应场 (Self-Consistent Reaction Field)

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