Model core potential and all-electron studies of molecules containing rare gas atoms

Journal of Physical Chemistry A

Volumn 114, Issue 33, 2010, Pages 8786-8792

  Fitzsimmons, Amelia ^a   Mori, Hirotoshi ^b   Miyoshi, Eisaku ^c   Klobukowski, Mariusz ^a  

^a UNIVERSITY OF ALBERTA   (Canada)

^b OCHANOMIZU UNIVERSITY   (Japan)

^c KYUSHU UNIVERSITY   (Japan)

Author keywords

[No Author keywords available]

Indexed keywords

ATOMIC PROPERTIES; BASIS SETS; DOUGLAS-KROLL; ELECTRON BASIS SETS; ENERGIES OF FORMATION; EXTENDED MODEL; FLUORIDE ANIONS; HARMONIC VIBRATIONAL FREQUENCIES; IONIZATION ENERGIES; MODEL CORE POTENTIALS; NATURAL BOND ORBITAL METHOD; PARAMETRIZATIONS; POPULATION ANALYSIS; RARE GAS ATOMS; RELATIVISTIC EFFECTS;

INERT GASES; IONIZATION OF GASES; KRYPTON; MOLECULES; XENON;

ATOMS;

EID: 77955893533     PISSN: 10895639     EISSN: 15205215     Source Type: Journal    
DOI: 10.1021/jp101765m     Document Type: Article

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