Noble gas clusters doped with a metal ion I: Ab initio studies of Na+ Arn

Journal of Physical Chemistry A

Volumn 108, Issue 4, 2004, Pages 683-690

  Nagata, Takeshi ^a,b   Aoyagi, Mutsumi ^b   Iwata, Suehiro ^c  

^a HIROSHIMA UNIVERSITY   (Japan)

^b KYUSHU UNIVERSITY   (Japan)

^c National Institution for Academic Degrees and University Evaluation Tokyo   (Japan)

Author keywords

[No Author keywords available]

Indexed keywords

APPROXIMATION THEORY; COMPUTER SIMULATION; CONFORMATIONS; DOPING (ADDITIVES); ELECTRONIC STRUCTURE; MOLECULAR DYNAMICS; PERTURBATION TECHNIQUES; SODIUM;

AB INITIO MOLECULAR ORBITAL METHODS; BASIS SET SUPERPOSITION ERROR; MOLLER-PLESSET PERTURBATION THEORY; POTENTIAL ENERGY FUNCTION; THERMOMECHANICAL STABILITY;

ARGON;

EID: 0442295462     PISSN: 10895639     EISSN: None     Source Type: Journal    
DOI: 10.1021/jp036443h     Document Type: Article

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