No special actions if energy rises with DFT gaussien ????

Rotational constants (GHZ): 0.1722105 0.0637054 0.0501274 Standard basis: 6-311++G(d,p) (5D, 7F) There are 907 symmetry adapted cartesian basis functions of A symmetry. There...

14 August 2023 5,400 1 View