Lista de obras - W. M. C. Sameera - Dominio Público Uruguay

A Combined Experimental and Computational Study of the Magnetic Superexchange within a Triangular (μ3-O)-Pyrazolato-FeIII3 Complex

A Hierarchy of Methods for the Energetically Accurate Modeling of Isomerism in Monosaccharides

scientific article published on 02 August 2012

A Luminescent Manganese PhotoCORM for CO Delivery to Cellular Targets under the Control of Visible Light.

artículo científico publicado en 2018

A dinuclear Mo2H8 complex supported by bulky C5H2tBu3 ligands

artículo científico publicado en 2020

A general mechanism for the copper- and silver-catalyzed olefin aziridination reactions: concomitant involvement of the singlet and triplet pathways.

artículo científico publicado en 2013

Artificial Force Induced Reaction Method for Systematic Determination of Complex Reaction Mechanisms.

artículo científico publicado en 2016

Asymmetric Synthesis of β2 -Aryl Amino Acids through Pd-Catalyzed Enantiospecific and Regioselective Ring-Opening Suzuki-Miyaura Arylation of Aziridine-2-carboxylates

artículo científico publicado en 2019

CH<sub>3</sub>O Radical Binding on Hexagonal Water Ice and Amorphous Solid Water

artículo científico publicado en 2020

Chemical Pathways of SO 2 with Hydrogen Atoms on Interstellar Ice Analogues

artículo científico publicado en 2024

Chemo-, regio-, and stereoselective silver-catalyzed aziridination of dienes: scope, mechanistic studies, and ring-opening reactions

artículo científico publicado en 2014

Co6 H8 (Pi Pr3 )6 : A Cobalt Octahedron with Face-Capping Hydrides.

artículo científico publicado en 2016

Computational Catalysis Using the Artificial Force Induced Reaction Method.

artículo científico publicado en 2016

Computational Study of the Interactions between Benzene and Crystalline Ice Ih : Ground and Excited States.

artículo científico publicado en 2016

DFT Rationalization of the Diverse Outcomes of the Iodine(III)-Mediated Oxidative Amination of Alkenes

artículo científico publicado en 2016

DFT and AFIR Study on the Mechanism and the Origin of Enantioselectivity in Iron-Catalyzed Cross-Coupling Reactions

artículo científico publicado en 2017

Dehydration of Methanediol in Aqueous Solution: An ONIOM(QM/MM) Study

artículo científico publicado en 2016

Delivery of Electrons by Proton-Hole Transfer in Ice at 10 K: Role of Surface OH Radicals

artículo científico publicado en 2021

Development of Ion-Conductive and Vapoluminescent Porous Coordination Polymers Composed of Ruthenium(II) Metalloligand.

artículo científico publicado en 2017

Double exchange in a mixed-valent octanuclear iron cluster, [Fe8(μ4-O)4(μ-4-Cl-pz)12Cl4](-).

artículo científico publicado en 2014

Expanding the Range of Force Fields Available for ONIOM Calculations: The SICTWO Interface

scientific article published on 06 September 2018

Experimental and Theoretical Mössbauer Study of an Extended Family of [Fe8(μ4-O)4(μ-4-R-px)12X4] Clusters

article

Highly Twisted N,N-Dialkylamines as a Design Strategy to Tune Simple Aromatic Hydrocarbons as Steric Environment-Sensitive Fluorophores.

artículo científico publicado en 2016

Luminescent Re(I) Carbonyl Complexes as Trackable PhotoCORMs for CO delivery to Cellular Targets

artículo científico publicado en 2017

Luminescent ionic liquids based on cyclometalated platinum(ii) complexes exhibiting thermochromic behaviour in different colour regions

artículo científico publicado en 2018

Mechanistic and computational studies of the atom transfer radical addition of CCl4 to styrene catalyzed by copper homoscorpionate complexes.

artículo científico publicado en 2011

Methanol Formation through Reaction of Low-energy CH 3 + Ions with an Amorphous Solid Water Surface at Low Temperature

artículo científico publicado en 2023

On the mechanism of water oxidation by a bimetallic manganese catalyst: a density functional study.

artículo científico publicado en 2011

Palladium-Catalyzed Regioselective and Stereospecific Ring-Opening Cross-Coupling of Aziridines: Experimental and Computational Studies

artículo científico publicado en 2020

Palladium-catalyzed regioselective and stereo-invertive ring-opening borylation of 2-arylaziridines with bis(pinacolato)diboron: experimental and computational studies

artículo científico publicado en 2016

Phosphorescence Properties of Discrete Platinum(II) Complex Anions Bearing N-Heterocyclic Carbenes in the Solid State

artículo científico publicado en 2018

Quantum mechanics/molecular mechanics methods can be more accurate than full quantum mechanics in systems involving dispersion correlations ⬇️

artículo científico publicado el 21 de abril de 2011

Robust Triplatinum Redox-Chromophore for a Post-Synthetic Color-Tunable Electrochromic System

artículo científico publicado en 2019

Solvent-Free Thermal Synthesis of Luminescent Dinuclear Cu(I) Complexes with Triarylphosphines

artículo científico publicado en 2018

Surface Reaction of Methyl Mercaptan (CH 3 SH) with Hydrogen Atoms on Amorphous Solid Water

artículo científico publicado en 2023

The Mechanism of Iron(II)-Catalyzed Asymmetric Mukaiyama Aldol Reaction in Aqueous Media: Density Functional Theory and Artificial Force-Induced Reaction Study

scientific article published on 20 August 2015

The ONIOM Method and Its Applications.

artículo científico

The role of substrate in unmasking oxyl character in oxomanganese complexes: the key to selectivity?

artículo científico publicado en 2008

Theoretical Study of Addition Reactions of L4M(M = Rh, Ir) and L2M(M = Pd, Pt) to Li+@C60.

artículo científico publicado en 2017

Lista de obras de W. M. C. Sameera

A Combined Experimental and Computational Study of the Magnetic Superexchange within a Triangular (μ3-O)-Pyrazolato-FeIII3 Complex

A Hierarchy of Methods for the Energetically Accurate Modeling of Isomerism in Monosaccharides

A Luminescent Manganese PhotoCORM for CO Delivery to Cellular Targets under the Control of Visible Light.

A dinuclear Mo2H8 complex supported by bulky C5H2tBu3 ligands

A general mechanism for the copper- and silver-catalyzed olefin aziridination reactions: concomitant involvement of the singlet and triplet pathways.

Artificial Force Induced Reaction Method for Systematic Determination of Complex Reaction Mechanisms.

Asymmetric Synthesis of β2 -Aryl Amino Acids through Pd-Catalyzed Enantiospecific and Regioselective Ring-Opening Suzuki-Miyaura Arylation of Aziridine-2-carboxylates

CH<sub>3</sub>O Radical Binding on Hexagonal Water Ice and Amorphous Solid Water

Chemical Pathways of SO 2 with Hydrogen Atoms on Interstellar Ice Analogues

Chemo-, regio-, and stereoselective silver-catalyzed aziridination of dienes: scope, mechanistic studies, and ring-opening reactions

Co6 H8 (Pi Pr3 )6 : A Cobalt Octahedron with Face-Capping Hydrides.

Computational Catalysis Using the Artificial Force Induced Reaction Method.

Computational Study of the Interactions between Benzene and Crystalline Ice Ih : Ground and Excited States.

DFT Rationalization of the Diverse Outcomes of the Iodine(III)-Mediated Oxidative Amination of Alkenes

DFT and AFIR Study on the Mechanism and the Origin of Enantioselectivity in Iron-Catalyzed Cross-Coupling Reactions

Dehydration of Methanediol in Aqueous Solution: An ONIOM(QM/MM) Study

Delivery of Electrons by Proton-Hole Transfer in Ice at 10 K: Role of Surface OH Radicals

Development of Ion-Conductive and Vapoluminescent Porous Coordination Polymers Composed of Ruthenium(II) Metalloligand.

Double exchange in a mixed-valent octanuclear iron cluster, [Fe8(μ4-O)4(μ-4-Cl-pz)12Cl4](-).

Expanding the Range of Force Fields Available for ONIOM Calculations: The SICTWO Interface

Experimental and Theoretical Mössbauer Study of an Extended Family of [Fe8(μ4-O)4(μ-4-R-px)12X4] Clusters

Highly Twisted N,N-Dialkylamines as a Design Strategy to Tune Simple Aromatic Hydrocarbons as Steric Environment-Sensitive Fluorophores.

Luminescent Re(I) Carbonyl Complexes as Trackable PhotoCORMs for CO delivery to Cellular Targets

Luminescent ionic liquids based on cyclometalated platinum(ii) complexes exhibiting thermochromic behaviour in different colour regions

Mechanistic and computational studies of the atom transfer radical addition of CCl4 to styrene catalyzed by copper homoscorpionate complexes.

Methanol Formation through Reaction of Low-energy CH 3 + Ions with an Amorphous Solid Water Surface at Low Temperature

On the mechanism of water oxidation by a bimetallic manganese catalyst: a density functional study.

Palladium-Catalyzed Regioselective and Stereospecific Ring-Opening Cross-Coupling of Aziridines: Experimental and Computational Studies

Palladium-catalyzed regioselective and stereo-invertive ring-opening borylation of 2-arylaziridines with bis(pinacolato)diboron: experimental and computational studies

Phosphorescence Properties of Discrete Platinum(II) Complex Anions Bearing N-Heterocyclic Carbenes in the Solid State

Quantum mechanics/molecular mechanics methods can be more accurate than full quantum mechanics in systems involving dispersion correlations ⬇️

Robust Triplatinum Redox-Chromophore for a Post-Synthetic Color-Tunable Electrochromic System

Solvent-Free Thermal Synthesis of Luminescent Dinuclear Cu(I) Complexes with Triarylphosphines

Surface Reaction of Methyl Mercaptan (CH 3 SH) with Hydrogen Atoms on Amorphous Solid Water

The Mechanism of Iron(II)-Catalyzed Asymmetric Mukaiyama Aldol Reaction in Aqueous Media: Density Functional Theory and Artificial Force-Induced Reaction Study

The ONIOM Method and Its Applications.

The role of substrate in unmasking oxyl character in oxomanganese complexes: the key to selectivity?

Theoretical Study of Addition Reactions of L4M(M = Rh, Ir) and L2M(M = Pd, Pt) to Li+@C60.