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Physical Chemistry Chemical Physics : PCCP|November 4, 2008
Carbohydrate-protein recognition probed by density functional theory and ab initio calculations including dispersive interactionsRajesh K Raju, Anitha Ramraj, Mark A Vincent, et al.Physical Chemistry Chemical Physics : PCCP|May 8, 2009
Carbohydrate-aromatic pi interactions: a test of density functionals and the DFT-D methodRajesh K Raju, Anitha Ramraj, Ian H Hillier, et al.Journal of Molecular Modeling|July 12, 2020
Computational investigation of cobalt and copper bis (oxothiolene) complexes as an alternative for olefin purificationDušan N Sredojević, Rajesh K Raju, Salvador Moncho, et al.Journal of Molecular Graphics & Modelling|August 31, 2010
An evaluation of the GLYCAM06 and MM3 force fields, and the PM3-D* molecular orbital method for modelling prototype carbohydrate-aromatic interactionsAnitha Ramraj, Rajesh K Raju, Qiantao Wang, et al.Dalton Transactions (Cambridge, England : 2003)|July 21, 2016
Iron(0) mediated C-H activation of 1-hexyne: a mechanistic study using time-resolved infrared spectroscopyJan H Blank, Rajesh K Raju, Tao Yan, et al.Physical Chemistry Chemical Physics : PCCP|May 10, 2008
The interaction of carbohydrates and amino acids with aromatic systems studied by density functional and semi-empirical molecular orbital calculations with dispersion correctionsRaman Sharma, Jonathan P McNamara, Rajesh K Raju, et al.Physical Chemistry Chemical Physics : PCCP|June 3, 2010
The effects of perfluorination on carbohydrate-pi interactions: computational studies of the interaction of benzene and hexafluorobenzene with fucose and cyclodextrinRajesh K Raju, Ian H Hillier, Neil A Burton, et al.Biochemistry|May 16, 2013
Insights into the activity and specificity of Trypanosoma cruzi trans-sialidase from molecular dynamics simulationsFelicity L Mitchell, João Neres, Anitha Ramraj, et al.Inorganic Chemistry|April 3, 2014
Thermal and photochemical reactivity of manganese tricarbonyl and tetracarbonyl complexes with a bulky diazabutadiene ligandVeeranna Yempally, Samuel J Kyran, Rajesh K Raju, et al.Pageof 2