thermochemistry

n.

热化学；

1. The rates are far more important than the thermochemistry of the chemical reactions taking place.
   这速度远比发生热化学反应的热化学重要。
2. The objective of using Gaussian in this course is to understand better chemical reactions and transition state theory, in addition to the computations of thermochemistry.
   本课程使用高斯的目的，是除了热化学计算，更好了解化学反应和过渡态理论。

1. Metallurgical Thermochemistry
Density-functional thermochemistry.
Ion Thermochemistry and Solvation From Gas Phase Ion Equilibria
Density‐functional thermochemistry. III. The role of exact exchange
New developments in density-functional thermochemistry
Density‐functional thermochemistry. I. The effect of the exchange‐only gradient correction
Density‐functional thermochemistry. II. The effect of the Perdew–Wang generalizedゞradient correlation correction
A new local density functional for main-group thermochemistry, transition metal bonding, thermochemical kinetics, and noncovalent in...
Hybrid Meta Density Functional Theory Methods for Thermochemistry, Thermochemical Kinetics, and Noncovalent Interactions:  The MPW1...
Design of Density Functionals by Combining the Method of Constraint Satisfaction with Parametrization for Thermochemistry, Thermoche...