An improved protocol for the efficient ab initio calculation of accurate enthalpies of formation for C,H,N compounds
Author:
Publisher
Wiley
Subject
Inorganic Chemistry,Organic Chemistry,Physical and Theoretical Chemistry,Biochemistry
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1. Generalized Prediction of Enthalpies of Formation Using DLPNO-CCSD(T) Ab Initio Calculations for Molecules Containing the Elements H, C, N, O, F, S, Cl, Br;Journal of Computational Chemistry;2019-01-08
2. Progress in Combustion Kinetics;Acta Physico-Chimica Sinica;2016
3. Thermochemistry of mono- and disubstituted acetylenes and polyynes at the Gaussian-4 level of theory;Computational and Theoretical Chemistry;2011-09
4. Thermochemistry of CO, (CO)O, and (CO)C bond breaking in fatty acid methyl esters;Combustion and Flame;2008-10
5. Physicochemical Properties and Thermochemistry of Propellanes;Energy & Fuels;2008-07
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