http://www.cnr.it/ontology/cnr/individuo/prodotto/ID292242
Adiabatic Potential Energy Surfaces for the Low-Energy Collisional Dynamics of C+(P-2) Ions with H-2 Molecules (Articolo in rivista)
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- 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)
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- 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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