The potential energy surface of the systems N(2D) + CH4, C2H6, and C2H4 have been investigated at B3LYP/aug-cc-pVTZ//CCSD(T)/aug-cc-pVTZ level in order to assist the interpretation of available experimental information very relevant for its implication for the chemical models of the atmosphere of Titan, and possibly of objects where both N2 and small hydrocarbons like methane are present, such as Triton and Pluto.
THEORETICAL STUDY OF REACTIONS RELEVANT FOR ATMOSPHERIC MODELS OF TITAN: EXCITED NITROGEN ATOMS WITH METHANE, ETHANE AND ETHENE
ROSI, Marzio;FALCINELLI, Stefano;BALUCANI, Nadia;CASAVECCHIA, Piergiorgio;LEONORI, FRANCESCA;SKOUTERIS, DIMITRIOS
2012
Abstract
The potential energy surface of the systems N(2D) + CH4, C2H6, and C2H4 have been investigated at B3LYP/aug-cc-pVTZ//CCSD(T)/aug-cc-pVTZ level in order to assist the interpretation of available experimental information very relevant for its implication for the chemical models of the atmosphere of Titan, and possibly of objects where both N2 and small hydrocarbons like methane are present, such as Triton and Pluto.File in questo prodotto:
Non ci sono file associati a questo prodotto.
I documenti in IRIS sono protetti da copyright e tutti i diritti sono riservati, salvo diversa indicazione.
