Quantum real wave-packet dynamics of the N (4S) +NO (X̃ Π2) → N2 (X̃ σg+1) +O (3P) reaction on the ground and first excited triplet potential energy surfaces: Rate constants, cross sections, and product distributions

Journal of Chemical Physics

Volumn 124, Issue 17, 2006, Pages

  Gamallo, Pablo ^a   Sayos R ^a   González, Miguel ^a   Petrongolo, Carlo ^b   Defazio, Paolo ^b  

^a UNIVERSITY OF BARCELONA   (Spain)

^b UNIVERSITY OF SIENA   (Italy)

Author keywords

[No Author keywords available]

Indexed keywords

DATA ACQUISITION; GROUND STATE; MOLECULAR DYNAMICS; POTENTIAL ENERGY; PROBABILITY; RATE CONSTANTS;

QUANTUM DYNAMICS; REAL WAVE-PACKET (WP) METHOD; VARIATIONAL TRANSITION STATE THEORY (VTST);

QUANTUM THEORY;

EID: 34547139351     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.2186643     Document Type: Article

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