RIQUIM - Repositorio Institucional de la Facultad de Química - UdelaR

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Kinetics and thermodynamics of the hydroxylation products in the photodegradation of the herbicide Metolachlor

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Bond dissociation energies and enthalpies of formation of flavonoids : A G4 and M06-2X investigation

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Density Funtional Theory is More Accurate than Coupled-Cluster Theory in the Study of the Thermochemistry of Species Containing the F-O Bond.

Etiquetas: Termoquímica

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Density functional investigation of atmospheric sulfur chemistry. I. Enthalpy of formation of HSO and related molecules

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Density functional computational chemistry : determination of the enthalpy of formation of methanethial-S,S-dioxide (sulfene)

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Coupled cluster investigation on the thermochemistry of dimethyl sulfide, dimethyl disulfide and their dissociation products: the problem of the enthalpy of formation of atomic sulfur

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Thermal analysis of the combustion of charcoals from Eucalyptus dunii obtained at different pyrolysis temperatures.

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Structural, magnetic and electronic properties of LaNi0.5Fe0.5O3 in the temperature range 5–1000 K

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Thermochemistry of 35 selected sulfur compounds, a comparison between experimented and theory

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Thermochemistry of the Hypobromous and Hypochlorous acids : HOBr and HOCL

Etiquetas: Termoquímica

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Computational determination of the enthalpy of formation of alkylthial S-oxides and alkylthione S-oxides: a study of (Z)-propanethial-S-oxide, the lachrymatory factor of the onion (Allium cepa)

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Density functional computational thermochemistry : solving the discrepancy between MO and DFT calculations on the enthalpy of formation of sulfine

Etiquetas: Termoquímica

Artículo

Complete basis set and density functional determination of the enthalpy of formation of the controversial H03 radical : a discrepancy between theory and experiment

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Heat of formation and thermochemical parameters of Silole

Etiquetas: Termoquímica

Artículo

Theoretical characterization of the HSOH, H2SO and H2OS isomers

Artículo

Computational study on the partial dechlorination of the pesticide chloropicrin by sulfur species

Navegue los elementos (16 total)

Kinetics and thermodynamics of the hydroxylation products in the photodegradation of the herbicide Metolachlor

Bond dissociation energies and enthalpies of formation of flavonoids : A G4 and M06-2X investigation

Density Funtional Theory is More Accurate than Coupled-Cluster Theory in the Study of the Thermochemistry of Species Containing the F-O Bond.

Density functional investigation of atmospheric sulfur chemistry. I. Enthalpy of formation of HSO and related molecules

Density functional computational chemistry : determination of the enthalpy of formation of methanethial-S,S-dioxide (sulfene)

Coupled cluster investigation on the thermochemistry of dimethyl sulfide, dimethyl disulfide and their dissociation products: the problem of the enthalpy of formation of atomic sulfur

Thermal analysis of the combustion of charcoals from Eucalyptus dunii obtained at different pyrolysis temperatures.

Structural, magnetic and electronic properties of LaNi0.5Fe0.5O3 in the temperature range 5–1000 K

Thermochemistry of 35 selected sulfur compounds, a comparison between experimented and theory

Thermochemistry of the Hypobromous and Hypochlorous acids : HOBr and HOCL

Computational determination of the enthalpy of formation of alkylthial S-oxides and alkylthione S-oxides: a study of (Z)-propanethial-S-oxide, the lachrymatory factor of the onion (Allium cepa)

Density functional computational thermochemistry : solving the discrepancy between MO and DFT calculations on the enthalpy of formation of sulfine

Complete basis set and density functional determination of the enthalpy of formation of the controversial H03 radical : a discrepancy between theory and experiment

Heat of formation and thermochemical parameters of Silole

Theoretical characterization of the HSOH, H2SO and H2OS isomers

Computational study on the partial dechlorination of the pesticide chloropicrin by sulfur species

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