Surface Migration in Diamond Growth von Frenklach, Michael, Skokov, Sergei

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Vibrational analysis of HOCl up to 98% of the dissociation energy with a Fermi resonance Hamiltonian von Jost, Remy, Joyeux, Marc, Skokov, Sergei, Bowman, Joel

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Quantum and quasiclassical reactive scattering of O(1D)+HCl using an ab initio potential von Christoffel, Kurt M, Kim, Yohan, Skokov, Sergei, Bowman, Joel M, Gray, Stephen K

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The unimolecular dissociation of the OH stretching states of HOCl: Comparison with experimental data von Weiß, J., Hauschildt, J., Schinke, R., Haan, O., Skokov, S., Bowman, J. M., Mandelshtam, V. A., Peterson, K. A.

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An atomistic model for stepped diamond growth von Frenklach, Michael, Skokov, Sergei, Weiner, Brian

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Theoretical studies of rotation induced Fermi resonances in HOCl von Chen, Rongqing, Guo, Hua, Skokov, Sergei, Bowman, Joel M.

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Elementary Reaction Mechanism for Growth of Diamond (100) Surfaces from Methyl Radicals von Skokov, Sergei, Weiner, Brian, Frenklach, Michael

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A theoretical study of the vibrational energy spectrum of the HOCl/HClO system on an accurate ab initio potential energy surface von Peterson, Kirk A., Skokov, Sergei, Bowman, Joel M.

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An accurate ab initio HOCl potential energy surface, vibrational and rotational calculations, and comparison with experiment von Skokov, Sergei, Peterson, Kirk A., Bowman, Joel M.

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Elementary reaction mechanism of diamond growth from acetylene von Skokov, Sergei, Weiner, Brian, Frenklach, Michael

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Oxidative Aromatic Substitutions:  Hartree−Fock/Density Functional and ab Initio Molecular Orbital Studies of Benzene and Toluene Nitrosation von Skokov, Sergei, Wheeler, Ralph A

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A FEM/VOF hybrid formulation for underfill encapsulation modeling von Pantuso, Daniel, Jiang, Lei, Shankar, Sadasivan, Skokov, Sergei

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Complex L[sup 2] calculation of the variation of resonance widths of HOCl with total angular momentum von Skokov, S., Bowman, J.M.

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Study of hydrogen abstraction reactions by density-functional methods von Skokov, Sergei, Wheeler, Ralph A.

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Quantum calculations of the effect of bend excitation in methane on the HCl rotational distribution in the reaction CH4+Cl→CH3+HCl von Skokov, Sergei, Bowman, Joel M.

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Perturbative inversion of the HOCl potential energy surface via singular value decomposition von Skokov, Sergei, Peterson, Kirk A., Bowman, Joel M.

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Vibrational dynamics up to the dissociation threshold: A case study of two-dimensional HOCl von Joyeux, Marc, Sugny, Dominique, Lombardi, Maurice, Jost, Remy, Schinke, Reinhard, Skokov, Sergei, Bowman, Joël

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Accurate variational calculations and analysis of the HOCl vibrational energy spectrum von Skokov, Sergei, Qi, Jianxin, Bowman, Joel M., Yang, Chao-Yie, Gray, Stephen K., Peterson, Kirk A., Mandelshtam, Vladimir A.

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Variation of the resonance width of HOCl(6νOH) with total angular momentum: Comparison between  ab initio  theory and experiment von Skokov, Sergei, Bowman, Joel M.

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A comparative study of the quantum dynamics and rate constants of the O(3P)+HCl reaction described by two potential surfaces von Skokov, Sergei, Tsuchida, Tomoki, Nanbu, Shinkoh, Bowman, Joel M., Gray, Stephen K.

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