Electronic structures, vibrational and thermochemical properties of neutral and charged niobium clusters Nbn, n = 7-12

Journal of Physical Chemistry A

Volumn 115, Issue 15, 2011, Pages 3523-3535

  Nhat, Pham Vu ^a,b   Ngan, Vu Thi ^a   Tai, Truong Ba ^a   Nguyen, Minh Tho ^a,c  

^a UNIVERSITY OF LEUVEN   (Belgium)

^b CAN THO UNIVERSITY   (Viet Nam)

^c INSTITUTE FOR COMPUTATIONAL SCIENCE AND TECHNOLOGY   (Viet Nam)

Author keywords

[No Author keywords available]

Indexed keywords

BASIS SETS; CCSD CALCULATIONS; CHEMICAL HARDNESS; CLOSE-IN; DFT COMPUTATIONS; DISSOCIATION ENERGIES; ENERGETIC PROPERTIES; EXPERIMENTAL VALUES; FUNCTIONALS; GROWTH BEHAVIOR; HOMO-LUMO GAPS; IONIZATION ENERGIES; IR SPECTRUM; NIOBIUM CLUSTER; OPTIMAL STRUCTURES; RELATIVE STABILITIES; SPECTROMETRIC TECHNIQUES; SPIN STATE; THERMOCHEMICAL PROPERTIES; VIBRATIONAL PROPERTIES;

BINDING ENERGY; DISSOCIATION; ELECTRONIC PROPERTIES; ELECTRONIC STRUCTURE; FREE ELECTRON LASERS; GROUND STATE; LASERS; STRUCTURAL OPTIMIZATION;

NIOBIUM;

EID: 79954612188     PISSN: 10895639     EISSN: 15205215     Source Type: Journal    
DOI: 10.1021/jp110758p     Document Type: Article

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