Publications by SHARCNET researchers

All || By Area || By Year

Title	Published	SHARCNET Authors	Area
381. The effects of turbulence on hurricane intensity	2010	G. Bryan, R. Rotunno, Y. Chen	Numerical Weather Prediction, Data Assimilation, Mesoscale Dynamics, Atmospheric Chemistry Modeling, Upper Atmosphere Modeling
382. Response curves for cellular automata in one and two dimensions - an example of rigorous calculations	2010	H. Fukś and A. Skelton	Cellular Automata, Discrete Dynamical Systems
383. Lone-pair states as a key to understanding impact ionization in chalcogenide semiconductors	2010	O. Rubel and D. Laughton	Computational Solid State Physics
384. Update of spherical Bessel transform: FFTW and OpenMp	2010	P., Koval, J. Talman	Molecular Electronic Strucure
385. Comparative theoretical investigation on the isomerization energies of long-chain perfluoroalkanes: A case study with perfluorooctane sulfonic acid congeners	2010	S Rayne, K Forest	Computational Physical Organic Chemistry For The Energy And Environmental Sciences
386. Surface Charge of Electrosprayed Water Nanodroplets: A Molecular Dynamics Study	2010	E. Ahadi and L. Konermann
387. A Message-Passing Algorithm for Counting Short Cycles in a Graph	2010	M. Karimi Dehkordi and A. H. Banihashemi	Digital And Wireless Communications And Information Theory
388. An Efficient Algorithm for Finding Dominant Trapping Sets of LDPC Codes	2010	M. Karimi and A. H. Banihashemi	Digital And Wireless Communications And Information Theory
389. Solid-State 47/49Ti NMR of Titanocene Chlorides	2010	Aaron J. Rossini, Ivan Hung, and Robert W. Schurko*
390. Crown ether complexes of tin(II) trifluoromethanesulfonate	2010	Rajoshree Bandyopadhyay, Benjamin F.T. Cooper, Aaron J. Rossini, Robert W. Schurko, Charles L.B. Macdonald
391. 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
392. The Burst Mode of Accretion and Disk Fragmentation in the Early Embedded Stages of Star Formation	2010	E. I. Vorobyov, S. Basu	Star Formation
393. Formation and Survivability of Giant Planets on Wide Orbits	2010	E. I. Vorobyov, S. Basu	Star Formation
394. Insertion complexes of an organic molecule trapped in ion-pairs	2010	Gurpaul Kochhar and Fedor Y. Naumkin	Computational Chemistry
395. 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
396. 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
397. 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
398. 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
399. 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
400. 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