Adiabatic Potential Energy Surfaces for the Low-Energy Collisional Dynamics of C+(P-2) Ions with H-2 Molecules (Articolo in rivista)

Type
Label
  • Adiabatic Potential Energy Surfaces for the Low-Energy Collisional Dynamics of C+(P-2) Ions with H-2 Molecules (Articolo in rivista) (literal)
Anno
  • 2014-01-01T00:00:00+01:00 (literal)
Http://www.cnr.it/ontology/cnr/pubblicazioni.owl#doi
  • 10.1021/jp5031834 (literal)
Alternative label
  • Bonfanti, Matteo; Tantardini, Gian Franco; Martinazzo, Rocco (2014)
    Adiabatic Potential Energy Surfaces for the Low-Energy Collisional Dynamics of C+(P-2) Ions with H-2 Molecules
    in The journal of physical chemistry. A
    (literal)
Http://www.cnr.it/ontology/cnr/pubblicazioni.owl#autori
  • Bonfanti, Matteo; Tantardini, Gian Franco; Martinazzo, Rocco (literal)
Pagina inizio
  • 6595 (literal)
Pagina fine
  • 6603 (literal)
Http://www.cnr.it/ontology/cnr/pubblicazioni.owl#numeroVolume
  • 118 (literal)
Rivista
Http://www.cnr.it/ontology/cnr/pubblicazioni.owl#pagineTotali
  • 9 (literal)
Http://www.cnr.it/ontology/cnr/pubblicazioni.owl#numeroFascicolo
  • 33 (literal)
Note
  • ISI Web of Science (WOS) (literal)
Http://www.cnr.it/ontology/cnr/pubblicazioni.owl#affiliazioni
  • University of Milan; Ctr Nazl Richerche (literal)
Titolo
  • Adiabatic Potential Energy Surfaces for the Low-Energy Collisional Dynamics of C+(P-2) Ions with H-2 Molecules (literal)
Abstract
  • The low-energy electronic states of the CH2+ molecular ion are investigated with multireference configuration interaction calculations based on complete active space self-consistent field reference wave functions using a large C(6s5p4d3f)/H(8s6p3d1f) basis set. The focus is on the three lowest-lying states describing formation and destruction of the astrophysically relevant methylidine cation CH+. Both processes are discussed in light of the topology of the relevant potential energy surfaces and their intersections. (literal)
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