Born-Oppenheimer molecular dynamics and electronic properties of chlorophyll-c2 in liquid methanol

Journal of Chemical Physics

Volumn 138, Issue 22, 2013, Pages

  Cabral, Benedito J C ^a,b   Coutinho, Kaline ^c   Canuto, Sylvio ^c  

^a UNIVERSITY OF LISBON   (Portugal)

^b UNIVERSITY OF LISBON   (Portugal)

^c UNIVERSITY OF SÃO PAULO   (Brazil)

Author keywords

[No Author keywords available]

Indexed keywords

BORN-OPPENHEIMER MOLECULAR DYNAMICS; DIHYDRATE CRYSTALS; EXPERIMENTAL DATUM; EXPERIMENTAL VALUES; INTRAMOLECULAR HYDROGEN BONDING; MAGNESIUM PHTHALOCYANINE; METHANOL MOLECULES; ORIENTATIONAL ORDERS;

CHLOROPHYLL; CHROMOPHORES; ELECTRONIC PROPERTIES; HYDROGEN BONDS; METHANOL; MOLECULAR DYNAMICS; SOLVATION;

LIQUIDS;

CHLOROPHYLL; CHLOROPHYLL C; MAGNESIUM; METHANOL;

CHEMISTRY; ELECTRON; MOLECULAR DYNAMICS; X RAY CRYSTALLOGRAPHY; ARTICLE;

CHLOROPHYLL; CRYSTALLOGRAPHY, X-RAY; ELECTRONS; MAGNESIUM; METHANOL; MOLECULAR DYNAMICS SIMULATION;

EID: 84879090823     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.4808177     Document Type: Article

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