College of Science

Physical, Biological, Mathematical and Computational Sciences
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2007
Patrick, A.D., Skene, A., Blaisten-Barojas, E., "Energetics and Bonding in Small Lithiated Carbon Clusters", J. of Molecular Structure: THEOCHEM, vol. 807, pp. 163-172, 2007     [CDS]   [CMaSC]
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Patrick, A.D., Williams, P., Blaisten-Barojas, E., "Energetics and Bonding in Beryllium Metallized Carbon Clusters", J. of Molecular Structure: THEOCHEM, vol. 824, pp. 39-47, 2007     [CDS]   [CMaSC]
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Veytsman, B., Shmilevich, M., "Automatic Report Generation with Web, TEX and SQL", TUGboat, vol. 28, pp. 77-79, 2007     [CDS]   [CMaSC]
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Veytsman, B., "Design of Presentations: Notes on Principles and TEX Iimplementation", TUGboat, vol. 28, pp. 70-76, 2007     [CDS]   [CMaSC]
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Veytsman, B., Akhmadeeva, L., "Drawing Medical Pedigree Trees with TEX and PSTricks", TUGboat, vol. 28, pp. 100-109, 2007     [CDS]   [CMaSC]
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Long, C.J., Hattrick-Simpers, J., Murakami, M., Srivastava, R.C., Takeuchi, I., Karen, V.L., Li, X., "Rapid Structural Mapping of Ternary Metallic Alloy Systems Using the Combinatorial Approach and Cluster Analysis", Rev. Sci. Instruments, vol. 78, no. 072217 , 2007     [CDS]   [CMaSC]
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Buot, F.A., "Discrete Phase Space and Quantum Superfield Theory in Nanosystem Quantum Transport", J. of Computational and Theoretical Nanoscience, vol. 4, pp. 1037-1082, 2007     [CDS]   [CMaSC]
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Kim, H.-Y, Gatica, S.M., S.M.,, Cole, M.W., "Interaction Thresholds for Adsorption of Quantum Gases on Surfaces and within Pores of Various Shapes", J. Phys. Chem. A, vol. 111, pp. 12439 – 12446, 2007     [CDS]   [CMaSC]
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Coskuner, O., Deiters, U.K., "Hydrophobic Intercations of Xenon by Monte Carlo Simulations", Z. Phys. Chem., vol. 221, pp. 1-15, 2007     [CDS]   [CMaSC]
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Coskuner, O., "Preferred Glycosidic Linkage of Methyl-beta-mannose", J. Chem. Phys., vol. 127, pp. 015101, 2007     [CDS]   [CMaSC]
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Coskuner, O., Jarvis, E.A.A., Allison, T.C., "Water Dissociation in the Presence of Metal Ions", Ang. Chem., vol. 119, pp. 7999-8001, 2007     [CDS]   [CMaSC]
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Yang, S., Kertesz, M., Zolyomi, V., Kurti, J., "Application of a Novel Linear/exponential Hybrid Force FieldSscaling Scheme to the Longitudinal Raman Active Mode of Polyyne", J. Phys. Chem. A, vol. 111, pp. 2434-2441, 2007     [CDS]   [CMaSC]
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Gatica, S., Dong, X., Blaisten-Barojas, E., "Study of Solid-liquid Phase Changes of Lennard-Jones Nanoclusters by Constant-Temperature-Pressure Monte Carlo Simulations", J. of Comp. and Theoretical Nanoscience, vol. 4, pp. 529-534, 2007     [CDS]   [CMaSC]
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Yang, S., Kertesz, M., "Theoretical Design of Low Band Gap Conjugated Polymers Through Ladders with Acetylenic Crosspieces", Macromolecules, vol. 40, pp. 6740-6747, 2007     [CDS]   [CMaSC]
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Gatica, S.M., Lueking, A.D., Cole, M.W., Mahan, G.D., "Vibrational Modes of 4He and H2 Gases Adsorbed on Carbon Nanotubes", Phys. Rev. B, vol. 76, pp. 085406-12, 2007     [CDS]   [CMaSC]
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Dong, X., Klimov, D., Blaisten-Barojas, E., "Protein Folding with the Adaptive Tempering Monte Carlo Method", Molecular Simulation, vol. 33, pp. 577-582, 2007     [CDS]   [CMaSC]
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2006
Lyver IV, J., Blaisten-Barojas, E., "Computational Study of Heat Transport in Compositionally Disordered Binary Crystals", Acta Materialia, vol. 54, pp. 4633-9, 2006     [CDS]   [CMaSC]
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Dong, X., Blaisten-Barojas, E., "Adaptive Tempering Monte Carlo Method", J. Computational & Theoretical Nanoscience, vol. 3, pp. 118-127, 2006     [CDS]   [CMaSC]
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Dong, X., Blaisten-Barojas, E., "Structural Optimization of Nanoclusters with Adaptive Tempering Monte Carlo Method", 2006 NSTI Nanotechnology Conference and Trade Show - NSTI Nanotech 2006 Technical Proceedings, pp. 629-632, 2006     [CDS]   [CMaSC]
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Dong, X., Gatica, S., Blaisten-Barojas, E., "Tight-Binding Calcium Clusters from Adaptive Tempering Monte Carlo Simulation", Lecture Series on Computer and Computational Sciences, vol. 5, pp. 9-15, 2006     [CDS]   [CMaSC]
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