Ground state structures and excited state dynamics of pyrrole-water complexes: Ab initio excited state molecular dynamics simulations

Journal of Chemical Physics

Volumn 128, Issue 3, 2008, Pages

  Kumar, Anupriya ^a   Kołaski, MacIej ^a,b   Kim, Kwang S ^a  

^a Pohang University of Science and Technology (POSTECH)   (South Korea)

^b UNIVERSITY OF SILESIA   (Poland)

Author keywords

[No Author keywords available]

Indexed keywords

CHARGE TRANSFER; COMPLEXATION; EXCITED STATES; GROUND STATE; HYDROGEN BONDS; MOLECULAR DYNAMICS;

EXCITED STATE DYNAMICS; GROUND STATE STRUCTURES;

AROMATIC COMPOUNDS;

EID: 38649127251     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.2822276     Document Type: Article

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