Ab initio molecular dynamics studies on the ground singlet potential energy surface of the tetraoxygen molecule, O4

Chemical Physics Letters

Volumn 485, Issue 1-3, 2010, Pages 16-20

  Ramirez Solis A ^a   Jolibois, F ^b   Maron, L ^b  

^a UNIVERSIDAD AUTÓNOMA DEL ESTADO DE MORELOS   (Mexico)

^b Institut National des Sciences Appliquées   (France)

Author keywords

[No Author keywords available]

Indexed keywords

AB INITIO; AB INITIO MOLECULAR DYNAMICS; AB INITIO MOLECULAR DYNAMICS SIMULATION; BORN-OPPENHEIMER; DYNAMICAL PROCESS; FINITE TEMPERATURES; PEAK INTENSITY; ROOM TEMPERATURE; SINGLET GROUND STATE; VIBRATIONAL MODES;

ELECTRONIC STRUCTURE; MOLECULAR DYNAMICS; POTENTIAL ENERGY; QUANTUM CHEMISTRY; SURFACE PHENOMENA;

TWO DIMENSIONAL;

EID: 73149085533     PISSN: 00092614     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.cplett.2009.11.065     Document Type: Article

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