Ab Initio Path Integral Molecular Dynamics Simulations of F2 H− and F2 H3 +

Progress in Theoretical Chemistry and Physics

Volumn 26, Issue , 2012, Pages 207-216

  Suzuki, K ^a   Ishibashi, H ^a   Yagi, K ^b   Shiga, M ^c   Tachikawa, M ^a  

^a YOKOHAMA CITY UNIVERSITY   (Japan)

^b UNIVERSITY OF ILLINOIS AT URBANA CHAMPAIGN   (United States)

^c JAPAN ATOMIC ENERGY AGENCY   (Japan)

Author keywords

Bond Angle; Molecular Dynamic; Program Code; Thermal Equilibration; Time Step Size

Indexed keywords

EID: 84878000786     PISSN: 15677354     EISSN: 22150129     Source Type: Book Series    
DOI: 10.1007/978-94-007-5297-9_10     Document Type: Chapter

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