An Understanding of the Origin of Chemical Reactivity from a Conceptual DFT Approach

A Matter of Density: Exploring the Electron Density Concept in the Chemical, Biological, and Materials Sciences

Volumn , Issue , 2012, Pages 157-201

  Chakraborty, Arindam ^a   Duley, Soma ^a   Giri, Santanab ^a   Chattaraj, Pratim Kumar ^a  

^a INDIAN INSTITUTE OF TECHNOLOGY   (India)

Author keywords

CDFT for ground state properties of molecules; CDFT based global local descriptors in reaction mechanism; Conceptual DFT approach, and understanding chemical reactivity; Conceptual DFT, in realistic understanding of structure, bonding, stability; Reactivity on molecules, electrophilicity, HSAB, MPP, MEP, MMP

Indexed keywords

EID: 84886336522     PISSN: None     EISSN: None     Source Type: Book    
DOI: 10.1002/9781118431740.ch7     Document Type: Chapter

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