List of works - 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

scientific article published on 02 August 2012

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

scientific article

A dinuclear Mo2H8 complex supported by bulky C5H2tBu3 ligands

scientific article published on 01 July 2020

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

scientific article published on 22 January 2013

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

scientific article published on 5 August 2016

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

scientific article published on 08 July 2019

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

scientific article published on 28 December 2020

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

scientific article published on 28 March 2014

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

scientific article published on 16 November 2016

Computational Catalysis Using the Artificial Force Induced Reaction Method.

scientific article published on 29 March 2016

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

scientific article published on 20 September 2016

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

scientific article published on 23 April 2016

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

scientific article published on 11 October 2017

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

scientific article published on 11 August 2016

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

scientific article published on 05 January 2021

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

scientific article published on 17 February 2017

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

scientific article published on 25 March 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.

scientific article published on 14 June 2016

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

scientific article

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

scientific article published in 2018

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

scientific article published on 14 February 2011

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

scientific article published in August 2023

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

scientific article published on 11 March 2011

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

scientific article published on 06 August 2020

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

scientific article published on 09 June 2016

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

scientific article published on 25 October 2018

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

scientific article published on 21 April 2011

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

scientific article published on 26 April 2019

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

scientific article published on 9 May 2018

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

scientific article published in February 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.

scientific article published on 08 April 2015

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

scientific article published on 02 October 2008

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

scientific article published on 16 March 2017

List of works by W. M. C. Sameera