Charge density and chemical reactions: A unified view from conceptual DFT

Modern Charge-Density Analysis

Volumn , Issue , 2012, Pages 715-764

  Johnson, Paul A ^a   Bartolotti, Libero J ^b   Ayers, Paul W ^a   Fievez, Tim ^c   Geerlings, Paul ^c  

^a MCMASTER UNIVERSITY   (Canada)

^b EAST CAROLINA UNIVERSITY   (United States)

^c VRIJE UNIVERSITEIT BRUSSEL   (Belgium)

Author keywords

[No Author keywords available]

Indexed keywords

CHEMICAL REACTIVITY; GEARS; MATHEMATICAL TRANSFORMATIONS; THERMODYNAMICS;

ABSTRACT CONCEPT; CHEMICAL PROBLEMS; CLASSICAL THERMODYNAMICS; CONCEPTUAL DENSITY FUNCTIONAL THEORY; LEGENDRE TRANSFORMS; MATHEMATICAL FRAMEWORKS; REACTIVITY INDICATORS; VARIATIONAL PRINCIPLES;

DENSITY FUNCTIONAL THEORY;

EID: 84955751623     PISSN: None     EISSN: None     Source Type: Book    
DOI: 10.1007/978-90-481-3836-4_21     Document Type: Chapter

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