On the performance of the Kohn–Sham orbital approach in the calculation of electron transfer parameters. The three state model
2014 ◽
Vol 16
(32)
◽
pp. 17154-17162
◽
The electron transfer parameters for the 3-state G⋯Ind system can be obtained using an efficient Kohn–Sham orbital based scheme.
1997 ◽
Vol 101
(22)
◽
pp. 4136-4141
◽
Keyword(s):
2003 ◽
Vol 107
(44)
◽
pp. 9301-9311
◽
Keyword(s):
1990 ◽
Vol 95
(4)
◽
pp. 647-678
◽
Keyword(s):
1985 ◽
Vol 117
(2)
◽
pp. 265-276
◽
2001 ◽
Vol 84
(11)
◽
pp. 3446-3455
◽
Keyword(s):