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2,154
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Finite temperature grand canonical ensemble study of the minimum electrophilicity principle
Author(s):
Ramón Alain Miranda-Quintana
1
,
Pratim K. Chattaraj
2
,
Paul W. Ayers
1
Publication date
Created:
September 28 2017
Publication date
(Print):
September 28 2017
Journal:
The Journal of Chemical Physics
Publisher:
AIP Publishing
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48
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Density-Functional Theory for Fractional Particle Number: Derivative Discontinuities of the Energy
John P Perdew
,
Robert Parr
,
Mel Levy
…
(1982)
Physical Review Letters, 49(23), 1691-1694
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Electronegativity: The density functional viewpoint
Robert Parr
,
Robert A. Donnelly
,
Mel Levy
…
(1978)
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Electrophilicity index.
D. Roy
,
U Sarkar
,
Pratim Chattaraj
…
(2006)
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Author and article information
Journal
Title:
The Journal of Chemical Physics
Abbreviated Title:
The Journal of Chemical Physics
Publisher:
AIP Publishing
ISSN (Print):
0021-9606
ISSN (Electronic):
1089-7690
Publication date Created:
September 28 2017
Publication date (Print):
September 28 2017
Volume
: 147
Issue
: 12
Page
: 124103
Affiliations
[
1
]
Department of Chemistry and Chemical Biology, McMaster University, Hamilton, Ontario L8S 4M1, Canada
[
2
]
Department of Chemistry and Center for Theoretical Studies, Indian Institute of Technology, Kharagpur 721302, India
Article
DOI:
10.1063/1.4996443
PubMed ID:
28964021
SO-VID:
0c59ecea-f374-479a-9206-b5dd6457d6e1
Copyright ©
© 2017
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