Bis(pentafluorophenyl)boryl ligand



Download 309.8 Kb.
Page2/4
Date09.06.2018
Size309.8 Kb.
#53905
1   2   3   4
P, and its components depend only on the calculated coefficients:
(3)
The second, the overlap matrix, S, depends on the basis set and the geometry of the molecule:
(4)
The density can then be represented as a matrix multiplication:
(5)
Since the basis set consists of atom centred functions,

Download 309.8 Kb.

Share with your friends:
1   2   3   4




The database is protected by copyright ©ininet.org 2024
send message

    Main page