Benchmark theoretical study of the π-π binding energy in the benzene dimer

Journal of Physical Chemistry A

Volumn 118, Issue 35, 2014, Pages 7568-7578

  Miliordos, Evangelos ^a   Aprà, Edoardo ^b   Xantheas, Sotiris S ^a  

^a PACIFIC NORTHWEST NATIONAL LABORATORY   (United States)

^b PACIFIC NORTHWEST NATIONAL LABORATORY   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

BENZENE; DIMERS; ELECTRIC CIRCUIT BREAKERS; ELECTRONIC STRUCTURE; FUNCTIONS; GEOMETRY; NUMERICAL METHODS;

BASIS SET SUPERPOSITION ERRORS; BENZENE MOLECULES; CALCULATED VALUES; CLUSTER GEOMETRIES; COMPLETE BASIS SET LIMIT; CORRELATION CONSISTENT POLARIZED VALENCE; ELECTRONIC STRUCTURE THEORY; ORBITAL BASIS SET;

BINDING ENERGY;

BENZENE;

CHEMICAL STRUCTURE; CHEMISTRY; DIMERIZATION; ELECTRON;

BENZENE; DIMERIZATION; ELECTRONS; MODELS, MOLECULAR;

EID: 84920096410     PISSN: 10895639     EISSN: 15205215     Source Type: Journal    
DOI: 10.1021/jp5024235     Document Type: Article

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