RIQUIM - Repositorio Institucional de la Facultad de Química - UdelaR

Isomerization and fragmentation reactions on the [C2SH4] potential energy surface: the metastable thione S-Methylide isomer.

Assessing SIRAH’s capability to simulate intrinsically disordered proteins and peptides

FT-IR, FT-Raman, UVeVis, NMR and structural studies of carquejyl acetate, a distinctive component of the essential oil from Baccharis trimera (less.) DC. (Asteraceae)

Estructura molecular de los peróxidos

Comparison of semiempirical and BSSE corrected moller-plesset Ab initio calculations on the direct addition of water to formaldehyde

Ab initio MP2 : MCSCF and MR-SDCI study on the structure of O4 and comparison with the hypervalent CO3 and SO3 species.

An analysis of dipole polarizabilities using density functional theory: N ₂ , H ₂ , F ^- and HF.

Bis [chlorobis ( 1,10-phenanthroline-N,N') (thiourea-S) nickel (II) chloride nitrate diethanol solvate

Structural and spectroscopic characterization of aqua diargininate copper(II) carbonate monohydrate.

Benzo [1,2-c]1,2,5-oxadiazole N-oxide derivatives as potential antitrypanosmal drugs. Part 3 : Substituents clustering methodology in the search for new active compounds.

Mechanistic insights into the chemistry of Ru (II) complexes containing CI and DMSO ligands

Tautomeric forms of 2-thiobarbituric acid as studied in the solid : in polar solutions

Comparison of large basis set DFT and MP2 calculations in the study of the barrier for internal rotation of 2,3,5,6 tetrafluoroanisole

Structure of indazole N 1-oxide derivatives studied by X-ray : theoretical methods, 1H, 13C, 15N NMR and EI/MS

X-ray structure and EPR behavior of a new dimeric copper (II) complex with 4-amino-N-(5-methoxy-2-pyrimidinyl)benzenessulfonamide

Benzo [1,2-c]1,2,5-oxadiazole N-oxide derivatives as potential antitrypanosomal drugs. Structure-activity relationships. Part II

Magnetic properties and molecular structures of binuclear (2-pyrazinecarboxylate)-bridged complexes containing Re( IV ) and M( II )(M = Co, Ni)†

A novel series of rhenium-bipyrimidine complexes : synthesis, crystal structure and electrochemical properties

On the experimental structure of monoperoxocarbonic acid and the enthalpy of formation of carbonic acid, peroxyformic acid and monoperoxocarbonic acid in gas phase

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Isomerization and fragmentation reactions on the [C2SH4] potential energy surface: the metastable thione S-Methylide isomer.

Assessing SIRAH’s capability to simulate intrinsically disordered proteins and peptides

FT-IR, FT-Raman, UVeVis, NMR and structural studies of carquejyl acetate, a distinctive component of the essential oil from Baccharis trimera (less.) DC. (Asteraceae)

Estructura molecular de los peróxidos

Comparison of semiempirical and BSSE corrected moller-plesset Ab initio calculations on the direct addition of water to formaldehyde

Ab initio MP2 : MCSCF and MR-SDCI study on the structure of O4 and comparison with the hypervalent CO3 and SO3 species.

An analysis of dipole polarizabilities using density functional theory: N ₂ , H ₂ , F ^- and HF.

Bis [chlorobis ( 1,10-phenanthroline-N,N') (thiourea-S) nickel (II) chloride nitrate diethanol solvate

Structural and spectroscopic characterization of aqua diargininate copper(II) carbonate monohydrate.

Benzo [1,2-c]1,2,5-oxadiazole N-oxide derivatives as potential antitrypanosmal drugs. Part 3 : Substituents clustering methodology in the search for new active compounds.

Mechanistic insights into the chemistry of Ru (II) complexes containing CI and DMSO ligands

Tautomeric forms of 2-thiobarbituric acid as studied in the solid : in polar solutions

Comparison of large basis set DFT and MP2 calculations in the study of the barrier for internal rotation of 2,3,5,6 tetrafluoroanisole

Structure of indazole N 1-oxide derivatives studied by X-ray : theoretical methods, 1H, 13C, 15N NMR and EI/MS

X-ray structure and EPR behavior of a new dimeric copper (II) complex with 4-amino-N-(5-methoxy-2-pyrimidinyl)benzenessulfonamide

Benzo [1,2-c]1,2,5-oxadiazole N-oxide derivatives as potential antitrypanosomal drugs. Structure-activity relationships. Part II

Magnetic properties and molecular structures of binuclear (2-pyrazinecarboxylate)-bridged complexes containing Re( IV ) and M( II )(M = Co, Ni)†

A novel series of rhenium-bipyrimidine complexes : synthesis, crystal structure and electrochemical properties

On the experimental structure of monoperoxocarbonic acid and the enthalpy of formation of carbonic acid, peroxyformic acid and monoperoxocarbonic acid in gas phase