Erratum: Semi-Experimental Equilibrium Structure Determinations by Employing B3LYP/SNSD Anharmonic Force Fields: Validation and Application to Semirigid Organic Molecules(Journal of Physical Chemistry A (2015) 119 (2058-2082) 10.1021/jp511432m);Semi-Experimental Equilibrium Structure Determinations by Employing B3LYP/SNSD Anharmonic Force Fields: Validation and Application to Semirigid Organic Molecules

Journal of Physical Chemistry A

Volumn 119, Issue 10, 2015, Pages 2058-2082

  Piccardo, Matteo ^a   Penocchio, Emanuele ^a,b   Puzzarini, Cristina ^b   Biczysko, Malgorzata ^c   Barone, Vincenzo ^a  

^a SCUOLA NORMALE SUPERIORE   (Italy)

^b UNIVERSITY OF BOLOGNA   (Italy)

^c CNR   (Italy)

Author keywords

[No Author keywords available]

Indexed keywords

BENCHMARKING; GEOMETRY; GROUND STATE; LEAST SQUARES APPROXIMATIONS; MOLECULES; QUANTUM THEORY; VIBRATIONS (MECHANICAL);

ANHARMONIC FORCE FIELD; COMPUTATIONAL APPROACH; EQUILIBRIUM STRUCTURES; QUANTUM MECHANICAL METHOD; ROTATIONAL CONSTANTS; STRUCTURAL PARAMETER; VIBRATIONAL CONTRIBUTIONS; VIBRATIONAL CORRECTIONS;

EQUILIBRIUM CONSTANTS;

EID: 84929598647     PISSN: 10895639     EISSN: 15205215     Source Type: Journal    
DOI: 10.1021/acs.jpca.6b04648     Document Type: Erratum

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