Variational calculation of highly excited rovibrational energy levels of H2O2

Journal of Physical Chemistry A

Volumn 117, Issue 32, 2013, Pages 7367-7377

  Polyansky, Oleg L ^a,b   Kozin, Igor N ^b   Ovsyannikov, Roman I ^b   Małyszek, Paweł ^c   Koput, Jacek ^c   Tennyson, Jonathan ^a   Yurchenko, Sergei N ^a  

^a UNIVERSITY COLLEGE LONDON   (United Kingdom)

^b INSTITUTE OF APPLIED PHYSICS   (Russian Federation)

^c ADAM MICKIEWICZ UNIVERSITY   (Poland)

Author keywords

[No Author keywords available]

Indexed keywords

AB INITIO CALCULATIONS; ELECTRONIC GROUND STATE; EQUILIBRIUM GEOMETRIES; KINETIC-ENERGY OPERATOR; RO-VIBRATIONAL ENERGIES; ROTATIONAL EXCITATION; VARIATIONAL CALCULATION; VIBRATIONAL BAND ORIGINS;

KINETIC ENERGY; KINETICS; POTENTIAL ENERGY; QUANTUM CHEMISTRY; STATISTICS; VARIATIONAL TECHNIQUES;

CALCULATIONS;

EID: 84882420255     PISSN: 10895639     EISSN: 15205215     Source Type: Journal    
DOI: 10.1021/jp401216g     Document Type: Article

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