Three-dimensional reference interaction site model self-consistent field study of the electronic structure of [Cr(H2O)6] 3+ in aqueous solution

Journal of Physical Chemistry A

Volumn 117, Issue 34, 2013, Pages 8314-8322

  Fujishige, Shinya ^a   Kawashima, Yukio ^a   Yoshida, Norio ^a   Nakano, Haruyuki ^a  

^a KYUSHU UNIVERSITY   (Japan)

Author keywords

[No Author keywords available]

Indexed keywords

CHARGE TRANSFER TRANSITIONS; ELECTRONIC CONFIGURATION; EXPERIMENTAL VALUES; LOW-LYING EXCITED STATE; REFERENCE INTERACTION SITE MODELS; SELF-CONSISTENT FIELD; TIME DEPENDENT DENSITY FUNCTIONAL THEORY; VERTICAL TRANSITIONS;

ELECTRIC FIELDS; ELECTRONIC STRUCTURE; EXCITED STATES; HYDRATION; HYDROGEN BONDS; SOLUTIONS;

THREE DIMENSIONAL;

CATION; CHROMIUM; WATER;

CHEMICAL MODEL; CHEMICAL STRUCTURE; CHEMISTRY; CONFERENCE PAPER; ELECTRON; HYDROGEN BOND; QUANTUM THEORY; THERMODYNAMICS;

CATIONS; CHROMIUM; ELECTRONS; HYDROGEN BONDING; MODELS, CHEMICAL; MOLECULAR STRUCTURE; QUANTUM THEORY; THERMODYNAMICS; WATER;

EID: 84883325138     PISSN: 10895639     EISSN: 15205215     Source Type: Journal    
DOI: 10.1021/jp405876g     Document Type: Conference Paper

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