Fisher information and steric effect: Study of the internal rotation barrier of ethane

Journal of Physical Chemistry A

Volumn 115, Issue 17, 2011, Pages 4406-4415

  Esquivel, Rodolfo O ^a,b   Liu, Shubin ^c   Angulo, Juan Carlos ^b   Dehesa, Jesús S ^b   Antolín, Juan ^b,d   Molina Espíritu, Moyocoyani ^a  

^a UNIVERSIDAD AUTÓNOMA METROPOLITANA   (Mexico)

^b UNIVERSITY OF GRANADA   (Spain)

^c UNIVERSITY OF NORTH CAROLINA   (United States)

^d UNIVERSITY OF ZARAGOZA   (Spain)

Author keywords

[No Author keywords available]

Indexed keywords

A-DENSITY; BASIS SETS; CCSD; COMPUTATIONAL APPROACH; DESCRIPTORS; FISHER INFORMATION; FISHER INFORMATION MEASURES; HARTREE-FOCK LEVELS; INTERNAL ROTATION BARRIER; OPTIMAL STRUCTURES; STERIC EFFECT; STERIC REPULSIONS; THEORETICAL POINTS;

COMPUTATIONAL GEOMETRY; DIHEDRAL ANGLE; ETHANE; FISHER INFORMATION MATRIX; INFORMATION THEORY; ROTATION;

STRUCTURAL OPTIMIZATION;

ETHANE;

ARTICLE; CHEMISTRY; QUANTUM THEORY; ROTATION;

ETHANE; QUANTUM THEORY; ROTATION;

EID: 79955538293     PISSN: 10895639     EISSN: 15205215     Source Type: Journal    
DOI: 10.1021/jp1095272     Document Type: Article

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