Conceptual density functional theory based electronic structure principles
Keyword(s):
In this review article, we intend to highlight the basic electronic structure principles and various reactivity descriptors as defined within the premise of conceptual density functional theory (CDFT).
2014 ◽
Vol 118
(40)
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pp. 23058-23069
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2020 ◽
2019 ◽
Vol 21
(44)
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pp. 24478-24488
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