Investigations of the very short hydrogen bond in the crystal of nitromalonamide via car-parrinello and path integral molecular dynamics

Journal of Physical Chemistry B

Volumn 117, Issue 18, 2013, Pages 5430-5440

  Durlak, Piotr ^a   Mierzwicki, Krzysztof ^a   Latajka, Zdzisław ^a  

^a UNIVERSITY OF WROC AW   (Poland)

Author keywords

[No Author keywords available]

Indexed keywords

MOLECULAR DYNAMICS; QUANTUM ELECTRONICS;

EXPERIMENTAL DATUM; INTERMOLECULAR INTERACTIONS; INTRA-MOLECULAR HYDROGEN BONDS; PATH-INTEGRAL MOLECULAR DYNAMICS; PATH-INTEGRAL SIMULATION; QUANTUM THEORY OF ATOMS IN MOLECULES; SHORT HYDROGEN BONDS; THEORETICAL STUDY;

HYDROGEN BONDS;

EID: 84877689752     PISSN: 15206106     EISSN: 15205207     Source Type: Journal    
DOI: 10.1021/jp312473b     Document Type: Article

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