Path-integral molecular dynamics simulations of BeO embedded in helium clusters: Formation of the stable HeBeO complex

Chemical Physics

Volumn 354, Issue 1-3, 2008, Pages 38-43

  Motegi, Haruki ^a   Kakizaki, Akira ^a   Takayanagi, Toshiyuki ^a   Taketsugu, Yuriko ^b   Taketsugu, Tetsuya ^b   Shiga, Motoyuki ^c  

^a SAITAMA UNIVERSITY   (Japan)

^b HOKKAIDO UNIVERSITY   (Japan)

^c JAPAN ATOMIC ENERGY AGENCY   (Japan)

Author keywords

Ab initio calculation; Helium cluster; Helium complex; Path integral calculation; Solvation

Indexed keywords

EID: 56949087862     PISSN: 03010104     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.chemphys.2008.09.001     Document Type: Article

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