Introducing DDEC6 atomic population analysis: part 1. Charge partitioning theory and methodology
We introduce a new atomic population analysis method that performs exceptionally well across an extremely broad range of periodic and non-periodic material types.
2003 ◽
Vol 107
(48)
◽
pp. 10428-10434
◽
Keyword(s):
Keyword(s):
2013 ◽
Vol 747
◽
pp. 119-125
◽
2013 ◽
Vol 121
◽
pp. 75-81
◽
Keyword(s):
1993 ◽
Vol 51
◽
pp. 562-563