n.熱化學(xué)
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. 本課程使用高斯的目的,是除了熱化學(xué)計(jì)算,更好了解化學(xué)反應(yīng)和過(guò)渡態(tài)理論。