HD isotope effect on porphine and porphycene molecules with multicomponent hybrid density functional theory

Journal of Chemical Physics

Volumn 125, Issue 24, 2006, Pages

  Udagawa, Taro ^a   Tachikawa, Masanori ^a,b  

^a YOKOHAMA CITY UNIVERSITY   (Japan)

^b JAPAN SCIENCE AND TECHNOLOGY AGENCY   (Japan)

Author keywords

[No Author keywords available]

Indexed keywords

DEUTERIUM; ELECTRONIC STRUCTURE; ELECTRONS; HYDROGEN; ISOTOPES; MOLECULAR STRUCTURE; PROBABILITY DENSITY FUNCTION;

ELECTRONIC POLARIZATION; HARTREE FOCK METHOD; MOLECULAR GEOMETRY; PORPHYCENE MOLECULES;

MOLECULAR PHYSICS;

EID: 33846071961     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.2403857     Document Type: Article

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