RIQUIM - Repositorio Institucional de la Facultad de Química - UdelaR

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

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

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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)

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Estructura molecular de los peróxidos

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

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

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

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

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

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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.

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

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

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

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Structure of indazole N 1-oxide derivatives studied by X-ray : |b theoretical methods

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

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

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

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A novel series of rhenium-bipyrimidine complexes : synthesis

Artículo

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

Navegue los elementos (19 total) Tagged ‘Estructura Molecular’

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 : |b theoretical methods

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

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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