An evaluation of scaling factors for multiparameter scaling procedures based on DFT force fields

Journal of Physical Chemistry A

Volumn 116, Issue 15, 2012, Pages 3866-3880

  Borowski, Piotr ^a  

^a MARIA CURIE SK ODOWSKA UNIVERSITY   (Poland)

Author keywords

[No Author keywords available]

Indexed keywords

BASIS SETS; DENSITY FUNCTIONALS; FORCE FIELDS; FREQUENCY FACTORS; FUNCTIONALS; FUNDAMENTAL FREQUENCIES; GEOMETRIC PARAMETER; HIGH QUALITY; MOLECULAR GEOMETRIES; MULTIPARAMETERS; QUANTUM MECHANICAL; SCALED FREQUENCIES; SCALING FACTORS; SCALING PROCEDURES; STATISTICAL UNCERTAINTY; TRAINING SETS; VIBRATIONAL MODES;

PHYSICAL CHEMISTRY; PHYSICS;

QUANTUM THEORY;

EID: 84860150269     PISSN: 10895639     EISSN: 15205215     Source Type: Journal    
DOI: 10.1021/jp212201f     Document Type: Article

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