Deuterium-substituted water-ammonia mixed trimer clusters, (H2O)n-3(NH3)n (n = 0,1,2,3): Interaction energy, hydrogen bond structures, and Mulliken population

Chemical Physics

Volumn 354, Issue 1-3, 2008, Pages 218-224

  Kikuta, Yoko ^a   Ishimoto, Takayoshi ^b,c   Nagashima, Umpei ^a,b,c  

^a UNIVERSITY OF TSUKUBA   (Japan)

^b NATIONAL INSTITUTE OF ADVANCED INDUSTRIAL SCIENCE AND TECHNOLOGY AIST   (Japan)

^c JAPAN SCIENCE AND TECHNOLOGY AGENCY   (Japan)

Author keywords

H D isotope effect; Hydrogen bond structures; Intermolecular interaction energy; Multi component molecular orbital (MC_MO) method; Water ammonia mixed trimer clusters

Indexed keywords

EID: 56949107766     PISSN: 03010104     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.chemphys.2008.10.027     Document Type: Article

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