Lista de obras - Ponnambalam Venuvanalingam

A combined experimental and computational study on the sulfoxidation by high-valent iron bispidine complexes

article

A multispectroscopic and molecular docking investigation of the binding interaction between serum albumins and acid orange dye.

artículo científico publicado en 2017

A new turn in codon-anticodon selection through halogen bonds.

artículo científico publicado en 2014

Ab initio and DFT modeling of stereoselective deamination of aziridines by nitrosyl chloride

Antitumor activity of bent metallocenes: electronic structure analysis using DFT computations

artículo científico publicado en 2010

Application of activation hardness in perturbed pericyclic reactions: a case study involving electrocyclic ring opening reactions of heterocyclobutenes

Atomic partitioning of M-H2 bonds in [NiFe] hydrogenase--a test case of concurrent binding

artículo científico publicado en 2014

Designing benzosiloles for better optoelectronic properties using DFT & TDDFT approaches

artículo científico publicado en 2012

Elucidating the structures and cooperative binding mechanism of cesium salts to the multitopic ion-pair receptor through density functional theory calculations

artículo científico publicado en 2015

Harmonic analysis of vibrations of morpholine-4-ylmethylthiourea: a DFT, midinfrared and Raman spectral study.

artículo científico publicado en 2008

Highly emissive luminogens based on imidazo[1,2-a]pyridine for electroluminescent applications.

artículo científico publicado en 2013

Influence of self-assembly on intercalative DNA binding interaction of double-chain surfactant Co(III) complexes containing imidazo[4,5-f][1,10]phenanthroline and dipyrido[3,2-d:2'-3'-f]quinoxaline ligands: experimental and theoretical study

artículo científico publicado en 2014

Insights from the computational studies on the oxidized as-isolated state of [NiFeSe] hydrogenase from D. vulgaris Hildenborough

artículo científico publicado en 2015

Interaction between toxic azo dye C.I. Acid Red 88 and serum albumins

article

Interaction of anthraquinone dyes with lysozyme: evidences from spectroscopic and docking studies.

artículo científico publicado en 2009

Luminescent Re(I) terpyridine complexes for OLEDs: what does the DFT/TD-DFT probe reveal?

artículo científico publicado en 2015

Novel uranyl(VI) complexes incorporating propylene-bridged salen-type N2O2-ligands: a structural and computational approach

artículo científico publicado en 2014

On the nature of hypercoordination in dihalogenated perhalocyclohexasilanes

artículo científico publicado en 2013

Open versus closed 1,3-dipolar additions of C60: a theoretical investigation on their mechanism and regioselectivity.

artículo científico publicado en 2005

Quantitative property-property relationship (QPPR) approach in predicting flotation efficiency of chelating agents as mineral collectors.

artículo científico publicado en 2002

Ring cleavage of aziridines by difluoroamine: mechanistic insights from ab initio and DFT study.

artículo científico publicado en 2005

Sequence selectivity of azinomycin B in DNA alkylation and cross-linking: a QM/MM study

scientific article published on 24 August 2012

Spectroscopic studies on TiO(2) enhanced binding of Hypocrellin B with DNA

artículo científico publicado en 2011

Structural elucidation and physicochemical properties of mononuclear Uranyl(VI) complexes incorporating dianionic units.

artículo científico publicado en 2016

Structure and Reactivity of Pd Complexes in Various Oxidation States in Identical Ligand Environments with Reference to C-C and C-Cl Coupling Reactions: Insights from Density Functional Theory

artículo científico publicado en 2018

Studies on the inclusion behavior of 9-Aminoacridine into cyclodextrins: spectroscopic and theoretical evidences

artículo científico publicado en 2012

Surfactant-cobalt(III) complexes: The impact of hydrophobicity on interaction with HSA and DNA - insights from experimental and theoretical approach.

artículo científico publicado en 2017

Surfactant-copper(II) Schiff base complexes: synthesis, structural investigation, DNA interaction, docking studies, and cytotoxic activity.

artículo científico publicado en 2014

Tuning nonlinear optical and optoelectronic properties of vinyl coupled triazene chromophores: a density functional theory and time-dependent density functional theory investigation

scientific article published on 27 April 2012

Lista de obras de Ponnambalam Venuvanalingam

A combined experimental and computational study on the sulfoxidation by high-valent iron bispidine complexes

A multispectroscopic and molecular docking investigation of the binding interaction between serum albumins and acid orange dye.

A new turn in codon-anticodon selection through halogen bonds.

Ab initio and DFT modeling of stereoselective deamination of aziridines by nitrosyl chloride

Antitumor activity of bent metallocenes: electronic structure analysis using DFT computations

Application of activation hardness in perturbed pericyclic reactions: a case study involving electrocyclic ring opening reactions of heterocyclobutenes

Atomic partitioning of M-H2 bonds in [NiFe] hydrogenase--a test case of concurrent binding

Designing benzosiloles for better optoelectronic properties using DFT & TDDFT approaches

Elucidating the structures and cooperative binding mechanism of cesium salts to the multitopic ion-pair receptor through density functional theory calculations

Harmonic analysis of vibrations of morpholine-4-ylmethylthiourea: a DFT, midinfrared and Raman spectral study.

Highly emissive luminogens based on imidazo[1,2-a]pyridine for electroluminescent applications.

Influence of self-assembly on intercalative DNA binding interaction of double-chain surfactant Co(III) complexes containing imidazo[4,5-f][1,10]phenanthroline and dipyrido[3,2-d:2'-3'-f]quinoxaline ligands: experimental and theoretical study

Insights from the computational studies on the oxidized as-isolated state of [NiFeSe] hydrogenase from D. vulgaris Hildenborough

Interaction between toxic azo dye C.I. Acid Red 88 and serum albumins

Interaction of anthraquinone dyes with lysozyme: evidences from spectroscopic and docking studies.

Luminescent Re(I) terpyridine complexes for OLEDs: what does the DFT/TD-DFT probe reveal?

Novel uranyl(VI) complexes incorporating propylene-bridged salen-type N2O2-ligands: a structural and computational approach

On the nature of hypercoordination in dihalogenated perhalocyclohexasilanes

Open versus closed 1,3-dipolar additions of C60: a theoretical investigation on their mechanism and regioselectivity.

Quantitative property-property relationship (QPPR) approach in predicting flotation efficiency of chelating agents as mineral collectors.

Ring cleavage of aziridines by difluoroamine: mechanistic insights from ab initio and DFT study.

Sequence selectivity of azinomycin B in DNA alkylation and cross-linking: a QM/MM study

Spectroscopic studies on TiO(2) enhanced binding of Hypocrellin B with DNA

Structural elucidation and physicochemical properties of mononuclear Uranyl(VI) complexes incorporating dianionic units.

Structure and Reactivity of Pd Complexes in Various Oxidation States in Identical Ligand Environments with Reference to C-C and C-Cl Coupling Reactions: Insights from Density Functional Theory

Studies on the inclusion behavior of 9-Aminoacridine into cyclodextrins: spectroscopic and theoretical evidences

Surfactant-cobalt(III) complexes: The impact of hydrophobicity on interaction with HSA and DNA - insights from experimental and theoretical approach.

Surfactant-copper(II) Schiff base complexes: synthesis, structural investigation, DNA interaction, docking studies, and cytotoxic activity.

Tuning nonlinear optical and optoelectronic properties of vinyl coupled triazene chromophores: a density functional theory and time-dependent density functional theory investigation