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- Journal Article
- A1
- open access
Bond additivity corrections for CBS‐QB3 calculated standard enthalpies of formation of H, C, O, N, and S containing species
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- Journal Article
- A1
- open access
Group additive modeling of substituent effects in monocyclic aromatic hydrocarbon radicals
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A theoretical study of standard heat of formation of systems involving in the zinc reduction of silicon tetrachloride
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First-principles based group additivity values for thermochemical properties of substituted aromatic compounds
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Kinetic modeling of a-hydrogen abstractions from unsaturated and saturated oxygenate compounds by hydrogen atoms
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Group additive values for the gas phase standard enthalpy of formation, entropy and heat capacity of oxygenates
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Modeling the gas-phase thermochemistry of organosulfur compounds
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A theoretical study of the thermodynamics and kinetics of small organosulfur compounds
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Exploring 1,2-hydrogen shift in silicon nanoparticles: reaction kinetics from quantum chemical calculations and derivation of Transition State Group Additivity (TSGA) database