Properties of reactive oxygen species by quantum Monte Carlo

Journal of Chemical Physics

Volumn 141, Issue 1, 2014, Pages

  Zen, Andrea ^a   Trout, Bernhardt L ^b   Guidoni, Leonardo ^c  

^a SAPIENZA UNIVERSITY OF ROME   (Italy)

^b Massachusetts Institute of Technology   (United States)

^c UNIVERSITY OF L'AQUILA   (Italy)

Author keywords

[No Author keywords available]

Indexed keywords

ATMOSPHERIC CHEMISTRY; BINDING ENERGY; ELECTRONIC PROPERTIES; ELECTRONIC STRUCTURE; LIGHT POLARIZATION; MONTE CARLO METHODS; NEGATIVE IONS; NITRIC OXIDE; QUANTUM CHEMISTRY;

DYNAMICAL CORRELATIONS; EQUILIBRIUM GEOMETRIES; EQUILIBRIUM STRUCTURES; QUANTUM CHEMICAL APPROACH; QUANTUM MONTE CARLO METHODS; REACTIVE OXYGEN SPECIES; SINGLET AND TRIPLET STATE; VARIATIONAL MONTE CARLO;

MOLECULAR OXYGEN;

NITRIC OXIDE; OXYGEN; REACTIVE OXYGEN METABOLITE; SUPEROXIDE;

CHEMISTRY; ELECTRON; MONTE CARLO METHOD; QUANTUM THEORY;

ELECTRONS; MONTE CARLO METHOD; NITRIC OXIDE; OXYGEN; QUANTUM THEORY; REACTIVE OXYGEN SPECIES; SUPEROXIDES;

EID: 84903973753     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.4885144     Document Type: Article

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