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List of works by Rajesh K. Raju

A unified set of experimental organometallic data used to evaluate modern theoretical methods

scientific article

An evaluation of the GLYCAM06 and MM3 force fields, and the PM3-D* molecular orbital method for modelling prototype carbohydrate-aromatic interactions.

scientific article published on 21 July 2010

Aromatic interactions modulate the 5'-base selectivity of the DNA-binding autoantibody ED-10.

scientific article published on 19 May 2014

Broad Transferability of Substituent Effects in π-Stacking Interactions Provides New Insights into Their Origin.

scientific article published on 16 July 2013

Carbohydrate-aromatic pi interactions: a test of density functionals and the DFT-D method.

scientific article published on 2 March 2009

Carbohydrate-protein recognition probed by density functional theory and ab initio calculations including dispersive interactions

scientific article published on 23 September 2008

Insights into the Activity and Specificity of Trypanosoma cruzi trans-Sialidase from Molecular Dynamics Simulations ⬇️

scientific article published on May 14, 2013

Iron(0) mediated C-H activation of 1-hexyne: a mechanistic study using time-resolved infrared spectroscopy

scientific article published on 20 July 2016

Mechanism of Ethylene Addition to Nickel Bis(oxothiolene) and Nickel Bis(dioxolene) Complexes

scientific article published on 30 August 2016

Modelling the binding of HIV-reverse transcriptase and nevirapine: an assessment of quantum mechanical and force field approaches and predictions of the effect of mutations on binding

scientific article published on 17 May 2010

Nickel Bis(diselenolene) as a Catalyst for Olefin Purification.

scientific article published on 28 September 2016

Physical Nature of Substituent Effects in XH/π Interactions

scientific article published on 23 August 2012

The effects of perfluorination on carbohydrate-pi interactions: computational studies of the interaction of benzene and hexafluorobenzene with fucose and cyclodextrin.

scientific article published on 2 June 2010

The interaction of carbohydrates and amino acids with aromatic systems studied by density functional and semi-empirical molecular orbital calculations with dispersion corrections

scientific article published on 27 February 2008

Thermal and photochemical reactivity of manganese tricarbonyl and tetracarbonyl complexes with a bulky diazabutadiene ligand

scientific article published on 01 April 2014

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