A computational investigation of HCN2+ isomeric structures: Implications for the chemistry of Titan's atmosphere

ChemPhysChem

Volumn 5, Issue 9, 2004, Pages 1345-1351

  Antoniotti, Paola ^b   Borocci, Stefano ^a   Bronzolino, Nicoletta ^a   Grandinetti, Felice ^a  

^a UNIVERSITY OF TUSCIA   (Italy)

^b UNIVERSITY OF TURIN   (Italy)

Author keywords

Ab initio calculations; Atmospheric chemistry; Gasphase reactions; Ion molecule reactions; Isomers

Indexed keywords

CALCULATIONS; COMPUTATION THEORY; COMPUTATIONAL CHEMISTRY; ENTHALPY; IONS; ISOMERS; MASS SPECTROMETRY; POTENTIAL ENERGY; QUANTUM CHEMISTRY;

AB INITIO CALCULATIONS; COMPLETE ACTIVE SPACE; COMPUTATIONAL INVESTIGATION; ENTHALPY OF FORMATION; GAS-PHASE REACTIONS; ION-MOLECULE REACTION; MULTI REFERENCE CONFIGURATION INTERACTIONS; SINGLE-POINT CALCULATIONS;

ATMOSPHERIC CHEMISTRY;

CARBON; HYDROGEN; NITROGEN; CYANIDE; HYDROCARBON;

ARTICLE; ASTRONOMY; ATMOSPHERE; CALCULATION; CHEMICAL STRUCTURE; ENERGY; ENTHALPY; GEOMETRY; ION CURRENT; ISOMER; MASS SPECTROMETRY; MOLECULAR INTERACTION; MOON; PHYSICAL CHEMISTRY; REACTION ANALYSIS; STRUCTURE ANALYSIS; THEORY; TITAN; CHEMISTRY; COMPUTER SIMULATION; ISOMERISM; MICROCLIMATE;

ATMOSPHERE; COMPUTER SIMULATION; CYANIDES; EXTRATERRESTRIAL ENVIRONMENT; HYDROCARBONS; ISOMERISM; NITROGEN; SATURN;

EID: 5044237970     PISSN: 14394235     EISSN: None     Source Type: Journal    
DOI: 10.1002/cphc.200400028     Document Type: Article

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