The role of accurate quantum mechanical computations in the assignment of vibrational spectra for unstable free radicals: H2CN and F2CN as test cases

Chemical Physics Letters

Volumn 467, Issue 4-6, 2009, Pages 276-280

  Puzzarini, Cristina ^a   Barone, Vincenzo ^b  

^a UNIVERSITY OF BOLOGNA   (Italy)

^b AREA DELLA RICERCA   (Italy)

Author keywords

[No Author keywords available]

Indexed keywords

FREE RADICAL REACTIONS; FUNCTIONS; MOLECULAR SPECTROSCOPY;

ANHARMONIC CONTRIBUTIONS; ANHARMONIC FREQUENCIES; CCSD; CLUSTER METHODS; CN RADICALS; DENSITY FUNCTIONALS; FORCE FIELDS; HARMONIC FREQUENCIES; HYBRID MODELS; PERTURBATIVE TREATMENTS; QUANTUM MECHANICAL COMPUTATIONS; SECOND ORDERS; SEMI-RIGID; TEST CASES; VIBRATIONAL FREQUENCIES;

FREE RADICALS;

EID: 57749106141     PISSN: 00092614     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.cplett.2008.11.067     Document Type: Article

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