Charge-transfer complexes between NH3 and the halogens F2, CIF, and Cl2: An ab initio study on the intermolecular interaction

Journal of Physical Chemistry A

Volumn 104, Issue 29, 2000, Pages 6871-6879

  Karpfen, Alfred ^a  

^a UNIVERSITY OF VIENNA   (Austria)

Author keywords

[No Author keywords available]

Indexed keywords

AMMONIA; CHARGE TRANSFER; ELECTRONIC DENSITY OF STATES; GROUND STATE; HALOGEN COMPOUNDS; MOLECULAR STRUCTURE; MOLECULAR VIBRATIONS; NUMERICAL ANALYSIS; PERTURBATION TECHNIQUES;

CHARGE TRANSFER COMPLEXES; COUPLED CLUSTER EXPANSIONS; EQUILIBRIUM STRUCTURES; HARMONIC FORCE CONSTANTS; INFRARED INTENSITIES; INTERMOLECULAR INTERACTION; MOLLER-PLESSET PERTURBATION THEORY; NUCLEAR QUADRUPOLE COUPLING CONSTANTS;

MOLECULAR DYNAMICS;

EID: 0034226354     PISSN: 10895639     EISSN: None     Source Type: Journal    
DOI: 10.1021/jp000922o     Document Type: Article

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