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Publications by SHARCNET researchers in 2010

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Title Published SHARCNET Authors Area
121. Crown ether complexes of tin(II) trifluoromethanesulfonate 2010 Rajoshree Bandyopadhyay, Benjamin F.T. Cooper, Aaron J. Rossini, Robert W. Schurko, Charles L.B. Macdonald
122. Secondary structure and solvent accessibility of a calmodulin-binding C-terminal segment of membrane-reconstituted myelin basic protein 2010 L. Homchaudhuri, M. De Avila, S.B. Nilsson, G.S.T. Smith, V.V. Bamm, A.A. Musse, G. Harauz, J.M. Boggs Myelin And Multiple Sclerosis
123. The Burst Mode of Accretion and Disk Fragmentation in the Early Embedded Stages of Star Formation 2010 E. I. Vorobyov, S. Basu Star Formation
124. Formation and Survivability of Giant Planets on Wide Orbits 2010 E. I. Vorobyov, S. Basu Star Formation
125. Insertion complexes of an organic molecule trapped in ion-pairs 2010 Gurpaul Kochhar and Fedor Y. Naumkin Computational Chemistry
126. Overlapping binding sites of structurally different antiarrhythmics flecainide and propafenone in the subunit interface of potassium channel Kv2.1 2010 Madeja M, Steffen W, Mesic I, Garic B, Zhorov BS. Biomolecular Simulations
127. Potassium channel block by a tripartite complex of two cationophilic ligands and a potassium ion 2010 Zimin PI, Garic B, Bodendiek SB, Mahieux C, Wulff H, Zhorov BS. Biomolecular Simulations
128. Molecular dynamics simulations of the liquid-crystal phases of 2-(4-butyloxyphenyl)-52-(4-butyloxyphenyl)-5-octyloxypyrimidine and 5-(4-butyloxyphenyl)-2-octyloxypyrimidine 2010 R. Pecheanu and N. M. Cann Chiral Fluids And Interfaces
129. Comparative study on the gas to solution phase solvation free energies of model combustion flue gas compounds (N2, O2, CO2, H2O, SO2, and CO) in 178 organic solvents using the IEFPCM-UFF, CPCM, and SMD implicit solvent models at the Gaussian-4 (G4) level of theory 2010 S Rayne, K Forest Computational Physical Organic Chemistry For The Energy And Environmental Sciences
130. Predicting acidification recovery at the Hubbard Brook Experimental Forest, New Hampshire, USA: Evaluation of four models 2010 K. Tominaga, J. Aherne, S.A. Watmough, M. Alveteg, B.J. Cosby, C.T. Driscoll, M. Posch, A. Pourmokhtarian Environmental Modelling
131. Performance of the M062X density functional against the ISOL set of benchmark isomerization energies for large organic molecules 2010 S Rayne, K Forest Computational Physical Organic Chemistry For The Energy And Environmental Sciences
132. Phenotypic effects of Ehlers–Danlos syndrome-associated mutation on the FnIII domain of tenascin-X 2010 Shulin Zhuang, Apichart Linhananta, and Hongbin Li Biological Physics / Physical Biology
133. Symmetry analysis and exact solutions of semilinear heat flow in multi-dimensions 2010 S C Anco, S Ali, T Wolf Computer Algebra, Knot Theory, Computer Go
134. How Do You Visualize a Million Links? 2010 Brown, Susan, Antoniuk, Jeffery, Bauer, Michael, Berberich, Jennifer, Radzikowska, Milena, Ruecker, Stan, Yung, Terence Digital Humanities; Linked Data; Cyberinfrastructure; Semantic Web
135. Structures, enthalpies of formation, and ionization energies for the parent and binary mixed carbon, silicon, nitrogen, and phosphorus cubane derivatives: A G4MP2 theoretical study 2010 S Rayne, K Forest Computational Physical Organic Chemistry For The Energy And Environmental Sciences
136. Geometries of the perchlorinated and perbrominated C3 through C6 n-alkanes: A comparative density functional theory study 2010 S Rayne, K Forest Computational Physical Organic Chemistry For The Energy And Environmental Sciences
137. Comparative density functional theory study on the relative gas phase enthalpies and free energies of formation for the mono- through hepta-halogenated (X=F, Cl, Br) anthraquinones 2010 S Rayne, K Forest Computational Physical Organic Chemistry For The Energy And Environmental Sciences
138. Octanol/water distribution coefficients of the C1 through C7 perfluoro-n-alkyl sulfonates: Comparison of the IEFPCM-UFF, CPCM, and SMD solvation models 2010 S Rayne, K Forest Computational Physical Organic Chemistry For The Energy And Environmental Sciences
139. N,N'-Diamidoketenimines via coupling of isocyanides to an N-heterocyclic carbene 2010 T. W. Hudnall, E. J. Moorhead, D. G. Gusev, C. W. Bielawski Organometallic Chemistry, Inorganic Chemistry
140. Heterolytic splitting of H-X bonds at a cationic (PNP)Pd center 2010 L. C. Gregor, C.-H. Chen, C. M. Fafard, L. Fan, C. Guo, B. M. Foxman, D. G. Gusev, O. V. Ozerov Organometallic Chemistry, Inorganic Chemistry