Michael B. Sullivan

Papers authored by Michael B. Sullivan

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2008 Man-Fai Ng, Mui Kheng Teo, Kok Hwa Lim, Liping Zhou, Michael B. Sullivan

, Shuo-Wang Yang

Towards tuning of surface properties by atomic and molecular adsorption on boron-terminated cubic boron nitride (111) surface: A first-principles study

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Rajeev Ahluwalia, Michael B. Sullivan

, David J. Srolovitz, Jian Wei Zheng, Alfred C. H. Huan

Multiscale kinetic model for polarization switching in ferroelectric polymer thin films

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Hui Ying Hoh, Kian Ping Loh

, Michael B. Sullivan

, Ping Wu

Spatial Effect of CH Dipoles on the Electron Affinity of Diamond (100)-2×1 Adsorbed with Organic Molecules

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Zhixin Tian, Bun Chan, Michael B. Sullivan

, Leo Radom, Steven R. Kass

Lithium monoxide anion: A ground-state triplet with the strongest base to date

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Xuanjun Zhang, Kian Ping Loh

, Michael B. Sullivan

, Zhi-Kuan Chen, Minghui Liu

Aggregation dependent S1 and S2 dual emissions of thiophene-acrylonitrile- carbazole oligomer

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This paper was not found in any repository; the policy of its publisher is unknown or unclear.

Liping Zhou, Shuo-Wang Yang, Man-Fai Ng, Michael B. Sullivan

, V. B. C. Tan, Lei Shen

One-dimensional iron-cyclopentadienyl sandwich molecular wire with half metallic, negative differential resistance and high-spin filter efficiency properties

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Yoko Saito, Mariko Miyazaki, Tomio Iwasaki, Naoya Sasaki, Hongmei M. Jin, Michael B. Sullivan

, Ping Wu

Force-field with Charge Transfer and Classical Molecular Dynamics Study for Metal-/Metal Oxide/Polyimide Interfaces

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M. B. Sullivan

, J. Zhang, F. C. H. Lim, H.-M. Jin, P. Wu

Density functional theory study of CO oxidation on Pd alloy surfaces

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2007 Jia Zhang, Kian Ping Loh

, Jianwei Zheng, Michael B. Sullivan

, Ping Wu

Adsorption of molecular oxygen on the walls of pristine and carbon-doped (5,5) boron nitride nanotubes: Spin-polarized density functional study

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2006 Jia Zhang, Michael B. Sullivan

, Jian Wei Zheng, Kian Ping Loh

, Ping Wu

Theoretical Study on Polyimide−Cu(100)/Ni(100) Adhesion

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2005 Naomi L. Haworth, Michael B. Sullivan

, Angela K. Wilson

, Jan M. L. Martin, Leo Radom

Structures and Thermochemistry of Calcium-Containing Molecules

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2003 Michael B. Sullivan

, Mark A. Iron, Paul C. Redfern, Jan M. L. Martin, Larry A. Curtiss, Leo Radom

Heats of Formation of Alkali Metal and Alkaline Earth Metal Oxides and Hydroxides: Surprisingly Demanding Targets for High-Level ab Initio Procedures

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David J. Henry, Michael B. Sullivan

, Leo Radom

G3-RAD and G3X-RAD: Modified Gaussian-3 (G3) and Gaussian-3X (G3X) procedures for radical thermochemistry

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2001 William T. G. Johnson, Michael B. Sullivan

, Christopher J. Cramer

meta andpara substitution effects on the electronic state energies and ring-expansion reactivities of phenylnitrenes

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2000 Sanjay Srivastava, Patrick H. Ruane, John P. Toscano, Michael B. Sullivan

, Christopher J. Cramer

, Dominic Chiapperino, Elizabeth C. Reed, Daniel E. Falvey

Structures of Reactive Nitrenium Ions: Time-Resolved Infrared Laser Flash Photolysis and Computational Studies of SubstitutedN-Methyl-N-arylnitrenium Ions

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Michael B. Sullivan

, Christopher J. Cramer

Quantum Chemical Analysis of Heteroarylnitrenium Ions and Mechanisms for Their Self-Destruction

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1999 M. B. Sullivan

, K. Brown, C. J. Cramer, D. G. Truhlar

Erratum: Quantum chemical analysis of para-substitution effects on the electronic structure of phenylnitrenium ions in the gas phase and aqueous solution (Journal of American Chemical Society (1998) 120 (11778-11783))

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Papers authored by Michael B. Sullivan