The determination of molecular structures by density functional theory. The evaluation of analytical energy gradients by numerical integration
Versluis, Louis, Ziegler, TomТом:
88
Рік:
1988
Мова:
english
Журнал:
The Journal of Chemical Physics
DOI:
10.1063/1.454603
Файл:
PDF, 813 KB
english, 1988