Investigation of the role of the C-PCM solvent effect in reactivity indices

Journal of Chemical Sciences

Volumn 117, Issue 5, 2005, Pages 583-589

  Ordon, Piotr ^b   Tachibana, Akitomo ^a  

^a KYOTO UNIVERSITY   (Japan)

^b WROC AW UNIVERSITY OF ENVIRONMENTAL AND LIFE SCIENCES   (Poland)

Author keywords

C PCM solvation model; Chemical potential; Hardness; Nuclear reactivity indices; Regional DFT

Indexed keywords

DEGREES OF FREEDOM (MECHANICS); HARDNESS; REACTIVITY (NUCLEAR); SOLVENTS; THERMODYNAMICS;

C-PCM SOLAVATION; CHEMICAL POTENTIALS; NUCLEAR REACTIVITY INDICES; REGIONAL DFT;

MOLECULAR DYNAMICS;

EID: 27844509494     PISSN: 02534134     EISSN: None     Source Type: Journal    
DOI: 10.1007/BF02708365     Document Type: Article

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