The Jahn-Teller effect in CH 3Cl +(X̃ 2E): A combined high-resolution experimental measurement and ab initio theoretical study

Journal of Chemical Physics

Volumn 136, Issue 6, 2012, Pages

  Shao, Zhuo ^a   Li, Hua ^a   Zhang, Shiyang ^a   Li, Juan ^a   Dai, Zuyang ^a   Mo, Yuxiang ^a   Bae, Yong Jin ^b   Kim, Myung Soo ^b  

^a TSINGHUA UNIVERSITY   (China)

^b Seoul National University   (South Korea)

Author keywords

[No Author keywords available]

Indexed keywords

AB INITIO; AB INITIO CALCULATIONS; ADIABATIC POTENTIAL ENERGY SURFACE; CONICAL INTERSECTION; COUPLING EFFECT; DIABATIC MODELS; DIABATIC POTENTIALS; DIAGONAL ELEMENTS; ENERGY SPLITTINGS; EXPERIMENTAL DATA; EXPERIMENTAL MEASUREMENTS; FOURTH-ORDER; GROUND VIBRATIONAL STATE; HIGH RESOLUTION; JAHN-TELLER; LINEAR COUPLING; MASS ANALYZED THRESHOLD IONIZATION; MATRIX; MODE COUPLING; MULTIMODES; OFF-DIAGONAL ELEMENTS; SPECTROSCOPIC METHOD; SPECTROSCOPIC PARAMETERS; SPIN ORBITS; SPIN-ORBIT COUPLINGS; STRETCHING VIBRATIONS; TAYLOR EXPANSIONS; THEORETICAL CALCULATIONS; THEORETICAL MODELS; THEORETICAL STUDY; VIBRONIC INTERACTIONS; ZERO-KINETIC ENERGIES; ZERO-POINT ENERGIES;

ISOMERS; JAHN-TELLER EFFECT; PHOTOIONIZATION; PHOTONS; POTENTIAL ENERGY SURFACES; QUANTUM CHEMISTRY; SPECTROSCOPIC ANALYSIS; STRETCHING;

CALCULATIONS;

EID: 84861627403     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.3679655     Document Type: Conference Paper

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