Electronic structures of MCO (M = Nb, Ta, Rh, Ir, Pd, Pt) molecules by density functional theory

Journal of Physical Chemistry A

Volumn 108, Issue 49, 2004, Pages 10906-10910

  Wu, Z J ^a   Li, H L ^a,b   Zhang, H J ^a   Meng, J ^a  

^a CHANGCHUN INSTITUTE OF APPLIED CHEMISTRY   (China)

^b UNIVERSITY OF CHINESE ACADEMY OF SCIENCES   (China)

Author keywords

[No Author keywords available]

Indexed keywords

COMPUTATIONAL GEOMETRY; CORRELATION METHODS; DISSOCIATION; GROUND STATE; LASER ABLATION; LIGHT POLARIZATION; OPTIMIZATION; PROBABILITY DENSITY FUNCTION; TRANSITION METALS;

DISSOCIATION ENERGY; GROUND ELECTRONIC STATE; SPIN POLARIZATION; VIBRATIONAL FREQUENCIES;

ELECTRONIC STRUCTURE;

EID: 10844248394     PISSN: 10895639     EISSN: None     Source Type: Journal    
DOI: 10.1021/jp046821y     Document Type: Article

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