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Thermochemical Data for CVD Modeling from Ab initio Calculations
Published online by Cambridge University Press: 15 February 2011
Abstract
Ab initio electronic-structure calculations are combined with empirical bond-additivity corrections to yield thermochemical properties of gas-phase molecules. A self-consistent set of heats of formation for molecules in the Si-H, Si-H-Cl, Si-H-F, Si-N-H and Si-NH- F systems is presented, along with preliminary values for some Si-O-C-H species.
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- Copyright © Materials Research Society 1994
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