Publications

Author:
Year:

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" Density Functional Theory Study of Tetrathiafulvalene and Thianthrene in Acetonitrile:  Structure, Dynamics, and Redox Properties † "
Joost VandeVondele and Ruth Lynden-Bell and Evert Jan Meijer and Michiel Sprik, February 2006
doi:10.1021/jp054841+

"Dissociative electron attachment to HCCCN"
K Graupner and T L Merrigan and T A Field and T G A Youngs and P C Marr, July 2006
doi:10.1088/1367-2630/8/7/117

"New bis(triazinyl) pyridines for selective extraction of americium(iii)"
Michael J. Hudson and Carole E. Boucher and Damien Braekers and Jean F. Desreux and Michael G. B. Drew and Mark R. St J. Foreman and Laurence M. Harwood and Cl?ment Hill and Charles Madic and Frank Marken and Tristan G. A. Youngs, August 2006
doi:10.1039/b514108g

"Using DL_POLY to study the sensitivity of liquid structure to potential parameters"
R. M. Lynden-Bell and T. G. A. Youngs, July 2006
doi:10.1080/08927020600823133

"Development of Complex Classical Force Fields through Force Matching to ab Initio Data:  Application to a Room-Temperature Ionic Liquid"
Tristan G. A. Youngs and Mario G. Del Pópolo and Jorge Kohanoff, March 2006
doi:10.1021/jp056931k

"Angular-dependent interatomic potential for tantalum"
Y. Mishin and A.Y. Lozovoi, September 2006
doi:10.1016/j.actamat.2006.06.034

"Ring-opening and branching in polycarbonates: A density functional-Monte Carlo study"
Jones,R.O. and Akola,J. and Ballone,P., 2005

"Modelling, simulations and monitoring of lamella structure formation in titanium alloys controlled by diffusion redistribution"
Malinov,S. and Katzarov,I. and Sha,W., 2005

"Optimization by quantum annealing: Lessons from simple cases"
Lorenzo Stella and Giuseppe E. Santoro and Erio Tosatti, July 2005
doi:10.1103/physrevb.72.014303

"Fragrance release from the surface of branched poly(amide)s"
Aulenta,F. and Drew,M.G.B. and Foster,A. and Hayes,W. and Rannard,S. and Thornthwaite,D.W. and Youngs,T.G.A., January 2005

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