RIQUIM - Repositorio Institucional de la Facultad de Química - UdelaR

Editorial : the Physical Chemistry of Organic-Inorganic Interfaces as a Key to Understanding Hybrid Nanomaterials

Erratum to: ‘Complete basis set and density functional determination of the enthalpy of formation of the controversial HO3 radical. A discrepancy between theory and experiment’ [Chem. Phys. Lett. 365 (2002) 440–449]

CCSDT study of the fluoroperoxyl radical : FOO

Ab initio and density functional study of Thionitroso XNS and Thiazyl isomers XSN : |b X = H,F,CL,Br,OH,SH,NH2,CH3,CF3.

Systematic Coupled Cluster, Brueckner Coupled Cluster, G3, CBS-QB3, and DFT Investigation of SX Diatomics; X ) First- or Second-Row Atom.

On the performance of CCSD(T) and CCSDT in the study of molecules with muticonfigurational character : halogen oxides.

Band gap opening of monolayer and bilayer graphene doped with aluminium, silicon, phosphorus, and sulfur.

Design and characterization of two strong fullerene receptors based on ball–socket interactions

Spectroscopic constants and potential energy curves of gallium nitride (GaN) and ions: GaN+ and GaN−

Theoretical characterization of the thiosulfeno radical : HS2

Investigation of H2 Physisorption on Corannulene (C2OH10), Tetraindenocorannulene (C44H18), Pentaindenocorannulene (C5OH2O), C60, and their nitrogen derivatives

Spin contamination in XOO radicals X = F, CI, Br, HO : |b How is the investigation of the HOOO radical affected

Las ecuaciones de Gibbs-Helmholtz

Estudio mecánico cuántico de espectros electrónicos de compuestos con elementos de la segunda fila por el método CNDO-S

Teoría general de los sistemas Buffer

La química física y la química industrial : importancia que tiene actualmente para el industrial la colaboración del químico

When noncovalent interactions are stronger than covalent bonds : Bilayer graphene doped with second row atoms, aluminum, silicon , phosphorus and sulfur

Determination of thermodynamic constants of cobalt fluoride by solid state electromotive force measurements in high temperature systems

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Editorial : the Physical Chemistry of Organic-Inorganic Interfaces as a Key to Understanding Hybrid Nanomaterials

Fundamento de una tabla general para el cálculo del Ph

Consideraciones sobre el significado de algunas constantes fisicoquímicas.

Reaction path and dual level dynamics calculations of the CH3F+OH reaction.

Expresión de la reacción de las disoluciones acuosas

La teoría de la acción tope y su importancia en biología

Erratum to: ‘Complete basis set and density functional determination of the enthalpy of formation of the controversial HO3 radical. A discrepancy between theory and experiment’ [Chem. Phys. Lett. 365 (2002) 440–449]

CCSDT study of the fluoroperoxyl radical : FOO

Ab initio and density functional study of Thionitroso XNS and Thiazyl isomers XSN : |b X = H,F,CL,Br,OH,SH,NH2,CH3,CF3.

Systematic Coupled Cluster, Brueckner Coupled Cluster, G3, CBS-QB3, and DFT Investigation of SX Diatomics; X ) First- or Second-Row Atom.

On the performance of CCSD(T) and CCSDT in the study of molecules with muticonfigurational character : halogen oxides.

Band gap opening of monolayer and bilayer graphene doped with aluminium, silicon, phosphorus, and sulfur.

Design and characterization of two strong fullerene receptors based on ball–socket interactions

Spectroscopic constants and potential energy curves of gallium nitride (GaN) and ions: GaN+ and GaN−

Theoretical characterization of the thiosulfeno radical : HS2

Investigation of H2 Physisorption on Corannulene (C2OH10), Tetraindenocorannulene (C44H18), Pentaindenocorannulene (C5OH2O), C60, and their nitrogen derivatives

Spin contamination in XOO radicals X = F, CI, Br, HO : |b How is the investigation of the HOOO radical affected

Las ecuaciones de Gibbs-Helmholtz

Estudio mecánico cuántico de espectros electrónicos de compuestos con elementos de la segunda fila por el método CNDO-S

Teoría general de los sistemas Buffer

La química física y la química industrial : importancia que tiene actualmente para el industrial la colaboración del químico

When noncovalent interactions are stronger than covalent bonds : Bilayer graphene doped with second row atoms, aluminum, silicon , phosphorus and sulfur

Determination of thermodynamic constants of cobalt fluoride by solid state electromotive force measurements in high temperature systems