Accuracy of fragmentation in ab initio calculations of hydrated sodium cation

Chemical Physics Letters

Volumn 478, Issue 4-6, 2009, Pages 295-300

  Fujita, Takatoshi ^a,b   Fukuzawa, Kaori ^c   Mochizuki, Yuji ^b,e   Nakano, Tatsuya ^b,d   Tanaka, Shigenori ^a,b  

^a KOBE UNIVERSITY   (Japan)

^b JAPAN SCIENCE AND TECHNOLOGY AGENCY   (Japan)

^c MIZUHO INFORMATION AND RESEARCH INSTITUTE   (Japan)

^d NATIONAL INSTITUTE OF HEALTH SCIENCES   (Japan)

^e RIKKYO UNIVERSITY   (Japan)

Author keywords

[No Author keywords available]

Indexed keywords

AB INITIO CALCULATIONS; EXPERIMENTAL STUDIES; FRAGMENT MOLECULAR ORBITAL; HYDRATION SHELL; INTERFACIAL PROPERTY; NET CHARGES; SODIUM CATIONS; SODIUM IONS; TOTAL ENERGY; WATER MOLECULE;

HYDRATES; METAL IONS; MOLECULAR ORBITALS; MOLECULES;

HYDRATION;

EID: 68949112222     PISSN: 00092614     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.cplett.2009.07.060     Document Type: Article

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