List of works - Mansour Zahedi

A theoretical elucidation of bilirubin interaction with HSA's lysines: first electrostatic binding site in IIA subdomain

scientific article published on 05 October 2006

A theoretical investigation of electronic ground state of parent sulfur diimide

scientific article published in February 2004

An ab initio investigation of sulfur diimides: stability of conformers and conformational analysis. Part III. The effect of moieties (X) on the SN2H(X) hierarchy

scientific article published in March 2004

An ab initio investigation of sulfur diimides: stability of various conformers and conformational analysis Part I. parent sulfur diimide

scientific article published in July 2003

An ab initio investigation of sulfur diimides: stability of various conformers and conformational analysis part II. Dimethyl sulfur diimides (DMSD)

scientific article published in September 2003

An ab initio quantum chemical comparative study of possible additive rules and linear relations in parent and extended sulfur diimide families

scientific article published on 19 August 2006

An ab initio quantum chemical study of cumulative double bonds: stability of various conformers and charge distribution analysis. Part I. XY2H2 hierarchy (X=O, S, Se and Y=N, P, As)

scientific article published in September 2004

An ab initio/hybrid (ONIOM) investigation of biliverdin isomers and metal–biliverdin analogue complexes

scientific article published in August 2003

Calorimetric and binding dissections of HSA upon interaction with bilirubin.

scientific article published in April 2006

Chameleonic nature of hydroxyheme in heme oxygenase and its reactivity: a density functional theory study

scientific article published on 05 March 2014

Comparative DFT study to determine if α-oxoaldehydes are precursors for pentosidine formation

scientific article published on 07 March 2012

Computational study for the circular redox reaction of N2O with CO catalyzed by fullerometallic cations C60Fe+ and C70Fe<sup/>

scientific article published on 31 December 2016

Corrigendum to “A theoretical investigation of electronic ground state of parent sulfur diimide” [J. Mol. Spectrosc. 223 (2004) 195–204]

scientific article published in October 2006

Cross-linking mechanisms of arginine and lysine with α,β-dicarbonyl compounds in aqueous solution

scientific article published on 26 October 2011

Density functional theory (B3LYP) study of substituent effects on O-H bond dissociation enthalpies of trans-resveratrol derivatives and the role of intramolecular hydrogen bonds

scientific article published on 30 October 2012

Density functional theory studies on the conversion of hydroxyheme to iron-verdoheme in the presence of dioxygen.

scientific article published on 25 January 2017

Effect of axial ligand on the electronic configuration, spin states, and reactivity of iron oxophlorin

scientific article published on 11 June 2012

Evaluation of the effect of the chiral centers of Taxol on binding to β-tubulin: A docking and molecular dynamics simulation study.

scientific article

Flame atomic absorption spectrometric determination of zinc, nickel, iron and lead in different matrixes after solid phase extraction on sodium dodecyl sulfate (SDS)-coated alumina as their bis (2-hydroxyacetophenone)-1, 3-propanediimine chelates.

scientific article published on 24 December 2008

Letter to the Editor: The concept of chemical bond – some like it fuzzy but others concrete

scientific article published on 7 October 2006

Noninnocent effect of axial ligand on the heme degradation process: a theoretical approach to hydrolysis pathway of verdoheme to biliverdin.

scientific article published on 23 October 2007

Prediction of novel complexation of porphine and BF3: Is it a 1:1 or 1:2 species?

scientific article published in May 2004

QM/MM Study of the Conversion of Oxophlorin into Verdoheme by Heme Oxygenase.

scientific article published in November 2017

Structure and redox behavior of iron oxophlorin and role of electron transfer in the heme degradation process.

scientific article published on 12 November 2012

The Role of Observables and Non-observables in Chemistry: A Critique of Chemical Language

scientific article published in February 2006

Theoretical investigation of interaction of sorbitol molecules with alcohol dehydrogenase in aqueous solution using molecular dynamics simulation

scientific article published on 01 March 2011

Theoretical investigation of the ring opening process of verdoheme to biliverdin in the presence of dioxygen.

scientific article published on 16 February 2010

Theoretical investigations of the hydrolysis pathway of verdoheme to biliverdin

scientific article published on 17 November 2006

Theoretical investigations of the reactivity of verdoheme analogues: opening of the planar macrocycle by amide, dimethyl amide, and hydroxide nucleophiles to form helical biliverdin type complexes

scientific article published on 05 May 2006

Theoretical investigations on the hydrolysis pathway of tin verdoheme complexes: elucidation of tin's ring opening inhibition role.

scientific article published on 17 April 2009

Theoretical studies on models of lysine-arginine cross-links derived from α-oxoaldehydes: a new mechanism for glucosepane formation

scientific article published on 03 August 2011

Therapeutic Effects of Static Magnetic Fields for Diabetic Wound Healing: A Review of the Current Evidence

article

To What Extent are “Atoms in Molecules” Structures of Hydrocarbons Reproducible from the Promolecule Electron Densities?

scientific article published on 23 February 2016

Towards a complete basis set limit of Hartree?Fock method: correlation-consistent versus polarized-consistent basis sets

scientific article published in April 2005

Towards developing efficient metalloporphyrin-based hybrid photocatalysts for CO2 reduction; an ab initio study

scientific article published on 07 October 2020

Tracing the Fingerprint of Chemical Bonds within the Electron Densities of Hydrocarbons: A Comparative Analysis of the Optimized and the Promolecule Densities

scientific article published on 17 August 2016

Unique 1∶2 adduct formation of meso-tetraarylporphyrins and meso-tetraalkylporphyrins with BF3: a spectroscopic and ab initio study

scientific article published in 2004

List of works by Mansour Zahedi