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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.Organic & Biomolecular Chemistry|December 14, 2011
Is nevirapine atropisomeric? Experimental and computational evidence for rapid conformational inversionEdmund W D Burke, Gareth A Morris, Mark A Vincent, et al.Journal of Chemical Theory and Computation|December 3, 2015
Density Functional and Semiempirical Molecular Orbital Methods Including Dispersion Corrections for the Accurate Description of Noncovalent Interactions Involving Sulfur-Containing MoleculesClaudio A Morgado, Jonathan P McNamara, Ian H Hillier, et al.Chemical Communications (Cambridge, England)|January 15, 2011
Low temperature CVD growth of PbS films on plastic substratesJaveed Akhtar, Mohammad Afzaal, Mark A Vincent, et al.Chemical Communications (Cambridge, England)|April 13, 2011
What is the initiation step of the Grubbs-Hoveyda olefin metathesis catalyst?Ian W Ashworth, Ian H Hillier, David J Nelson, et al.Chemical Communications (Cambridge, England)|April 30, 2004
A surprising steric effect on a tandem cycloaddition/ring-opening reaction: rapid syntheses of difluorinated analogues of (hydroxymethyl)conduritolsJohn Fawcett, Andrew C Moralee, Jonathan M Percy, 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.Journal of the American Chemical Society|October 5, 2006
Interplay of structure and reactivity in a most unusual furan Diels-Alder reactionGerry A Griffith, Ian H Hillier, Andrew C Moralee, 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.Pageof 5