Mode-Specific Tunneling Splittings for a Sequential Double-Hydrogen Transfer Case: An Accurate Quantum Mechanical Scheme

Journal of Physical Chemistry Letters

Volumn 6, Issue 10, 2015, Pages 1824-1829

  Ren, Yinghui ^a,b   Bian, Wensheng ^a  

^a INSTITUTE OF CHEMISTRY   (China)

^b UNIVERSITY OF CHINESE ACADEMY OF SCIENCES   (China)

Author keywords

[No Author keywords available]

Indexed keywords

GROUND STATE; QUANTUM THEORY; TRANSFER CASES (VEHICLES);

PARALLEL COMPUTATION; PARALLEL IMPLEMENTATIONS; PROMOTION EFFECTS; QUANTUM DYNAMICS CALCULATIONS; QUANTUM MECHANICAL; SPECTRAL TRANSFORM METHOD; TUNNELING SPLITTINGS; VIBRATIONAL EXCITATION;

HYDROGEN;

ACETYLENE; HYDROGEN; INDENE DERIVATIVE; VINYL DERIVATIVE; VINYLINDENE;

CHEMICAL MODEL; CHEMISTRY; QUANTUM THEORY;

ACETYLENE; HYDROGEN; INDENES; MODELS, CHEMICAL; QUANTUM THEORY; VINYL COMPOUNDS;

EID: 84930226886     PISSN: None     EISSN: 19487185     Source Type: Journal    
DOI: 10.1021/acs.jpclett.5b00672     Document Type: Article

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