Fukui and dual-descriptor matrices within the framework of spin-polarized density functional theory.
about
Bond Fukui indices: comparison of frozen molecular orbital and finite differences through Mulliken populations.Conceptual Insights into DFT Spin-State Energetics of Octahedral Transition-Metal Complexes through a Density Difference Analysis.Analysis of molecular and (di)atomic dual-descriptor functions and matrices.Atom and Bond Fukui Functions and Matrices: A Hirshfeld-I Atoms-in-Molecule Approach.In pursuit of negative Fukui functions: molecules with very small band gaps.Systematic treatment of spin-reactivity indicators in conceptual density functional theory
P2860
Fukui and dual-descriptor matrices within the framework of spin-polarized density functional theory.
description
2013 nî lūn-bûn
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2013年の論文
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2013年学术文章
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2013年学术文章
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2013年学术文章
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2013年学术文章
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name
Fukui and dual-descriptor matr ...... zed density functional theory.
@en
Fukui and dual-descriptor matr ...... zed density functional theory.
@nl
type
label
Fukui and dual-descriptor matr ...... zed density functional theory.
@en
Fukui and dual-descriptor matr ...... zed density functional theory.
@nl
prefLabel
Fukui and dual-descriptor matr ...... zed density functional theory.
@en
Fukui and dual-descriptor matr ...... zed density functional theory.
@nl
P2093
P2860
P356
P1476
Fukui and dual-descriptor matr ...... zed density functional theory.
@en
P2093
Diego R Alcoba
Ofelia B Oña
P2860
P304
P356
10.1039/C3CP50736J
P407
P577
2013-05-13T00:00:00Z