Vibrational and geometric structures of Nb3C2 and Nb3C2+ from pulsed field ionization-zero electron kinetic energy photoelectron spectra and density functional calculations

Journal of Chemical Physics

Volumn 105, Issue 24, 1996, Pages 10663-10671

  Yang, Dong Sheng ^a   Zgierski, Marek Z ^a   Bérces, Attila ^a   Hackett, Peter A ^a   Roy, Pierre Nicholas ^b   Martinez, Ana ^b,d   Carrington Jr , Tucker ^b   Salahub, Dennis R ^b   Fournier, René ^c   Pang, Tao ^c   Chen, Changfeng ^c  

^a NATIONAL RESEARCH COUNCIL CANADA   (Canada)

^b UNIVERSITÉ DE MONTRÉAL   (Canada)

^c UNIVERSITY OF NEVADA   (United States)

^d DEPARTAMENTO DE QUÍMICA   (Mexico)

Author keywords

[No Author keywords available]

Indexed keywords

APPROXIMATION THEORY; CALCULATIONS; CARBIDES; COMPUTER SIMULATION; ELECTRONIC STRUCTURE; FREQUENCIES; MASS SPECTROMETRY; MOLECULAR STRUCTURE; MOLECULAR VIBRATIONS; NIOBIUM; PHOTOIONIZATION;

AMSTERDAM DENSITY FUNCTIONAL; DENSITY FUNCTIONAL THEORY; FRANCK-CONDON FACTORS; JAHN-TELLER DISTORTION; PULSED FIELD IONIZATION; TRIGONAL BIPYRAMID GEOMETRY; ZERO ELECTRON KINETIC ENERGY SPECTRA;

PHOTOELECTRON SPECTROSCOPY;

EID: 0030408315     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.472873     Document Type: Article

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