Statistics – Computation
Scientific paper
Sep 2006
adsabs.harvard.edu/cgi-bin/nph-data_query?bibcode=2006aipc..855..281d&link_type=abstract
ASTROCHEMISTRY: From Laboratory Studies to Astronomical Observations. AIP Conference Proceedings, Volume 855, pp. 281-288 (2006
Statistics
Computation
Molecular And Chemical Processes And Interactions, Atomic, Molecular, And Chemical, And Grain Processes, Molecular Clouds, H2 Clouds, Dense Clouds, And Dark Clouds, Circumstellar Shells, Clouds, And Expanding Envelopes, Circumstellar Masers
Scientific paper
High-level ab initio calculations, using the CP-dG2thaw method and related approaches, are combined with VTST computations of radiative association rate coefficients to explore the reactivity of atomic metal ions and metal-containing molecular ions with abundant interstellar and circumstellar neutrals. Consequences of the calculated energetics and kinetics of the metal ion / ligand chemistry are surveyed with particular reference to the refractory metals Mg and Ca. The likely composition of the metal-containing populations and the accompanying formation of neutral species like MNC, MCN and MC3N are examined for three different C-rich environments, typified by the cold dark interstellar cloud TMC-1, the outer circumstellar envelope of the AGB star IRC+10216 and the post-AGB object CRL 618, and are discussed with reference to molecular detections within these three objects.
Dunbar Robert C.
Petrie Simon
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