Statistical mechanically averaged molecular properties of liquid water calculated using the combined coupled cluster/molecular dynamics method

Journal of Chemical Physics

Volumn 124, Issue 12, 2006, Pages

  Osted, Anders ^a   Kongsted, Jacob ^a,c   Mikkelsen, Kurt V ^a   Åstrand, Per Olof ^b   Christiansen, Ove ^c  

^a UNIVERSITY OF COPENHAGEN   (Denmark)

^b NORWEGIAN UNIVERSITY OF SCIENCE AND TECHNOLOGY   (Norway)

^c AARHUS UNIVERSITY   (Denmark)

Author keywords

[No Author keywords available]

Indexed keywords

ELECTRIC EXCITATION; ELECTRONIC STRUCTURE; POLARIZATION; VAPORIZATION;

ELECTRON CORRELATION; ELECTRONIC EXCITATION ENERGIES; MOLECULAR MECHANICS;

MOLECULAR DYNAMICS;

EID: 34547647927     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.2176615     Document Type: Article

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