Theoretical study on the excess electron binding mechanism in the [CH 3NO2·(H2O)n] (n = 16) anion clusters

Journal of Physical Chemistry A

Volumn 114, Issue 34, 2010, Pages 8939-8947

  Motegi, Haruki ^a   Takayanagi, Toshiyuki ^a   Tsuneda, Takao ^b,c   Yagi, Kiyoshi ^d   Nakanishi, Ryuzo ^e   Nagata, Takashi ^e  

^a SAITAMA UNIVERSITY   (Japan)

^b RIKEN   (Japan)

^c JAPAN SCIENCE AND TECHNOLOGY AGENCY   (Japan)

^d UNIVERSITY OF YAMANASHI   (Japan)

^e UNIVERSITY OF TOKYO   (Japan)

Author keywords

[No Author keywords available]

Indexed keywords

AB INITIO; ANION CLUSTERS; ANION COMPLEX; ANIONIC STATE; DENSITY FUNCTIONAL THEORY CALCULATIONS; ELECTRONIC STRUCTURE THEORY; EXCESS ELECTRONS; EXPERIMENTAL OBSERVATION; HYDRATION NUMBER; MULTIREFERENCE CONFIGURATION INTERACTION METHODS; ONE-FORM; SECOND ORDERS; SOLVATION STRUCTURE; THEORETICAL STUDY; TILTING ANGLE; TRANSFORMATION PROCESS; VERTICAL DETACHMENT ENERGIES; WATER SOLVENTS;

BINDING ENERGY; COMPLEXATION; DENSITY FUNCTIONAL THEORY; DYES; ELECTRONIC STRUCTURE; IONS; QUANTUM CHEMISTRY;

ELECTRONS;

EID: 77956157218     PISSN: 10895639     EISSN: 15205215     Source Type: Journal    
DOI: 10.1021/jp1041124     Document Type: Article

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