Perfluorinated n-Alkanes CmF2m+2 (m < 7):  Second pVT-Virial Coefficients, Viscosities, and Diffusion Coefficients Calculated by Means of an (n-6) Lennard-Jones Temperature-Depende... von HOHM, Uwe, ZARKOVA, Lydia, STEFANOV, Boris B.

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Oxidation of Si(100)2 × 1: thermodynamics of oxygen insertion and migration von Stefanov, Boris B., Raghavachari, Krishnan

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Steric Overcrowding in Perhalogenated Cyclohexanes, Dodecahedranes, and [60]Fulleranes von Cioslowski, Jerzy, Edgington, Lara, Stefanov, Boris B

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An efficient approach to calculation of zero-flux atomic surfaces and generation of atomic integration data von Stefanov, Boris B., Cioslowski, Jerzy

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Pathways for initial water-induced oxidation of Si(100) von Stefanov, Boris B., Raghavachari, Krishnan

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Efficient performance optimization of SOA-MZI devices von Wang, Jade P, Robinson, Bryan S, Savage, Shelby J, Hamilton, Scott A, Ippen, Erich P, Mu, Ruomei, Wang, Hongsheng, Sarathy, Jiten, Stefanov, Boris B

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Variational determination of the zero-flux surfaces of atoms in molecules von Cioslowski, Jerzy, Stefanov, Boris B.

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Photoabsorption of the peroxide linkage defect in silicate glasses von Stefanov, Boris B., Raghavachari, Krishnan

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Variability of shapes and properties of atoms in molecules: a case study of the carbonyl oxygen von Stefanov, Boris B, Cioslowski, Jerzy

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Cluster models for the photoabsorption of divalent defects in silicate glasses: Basis set and cluster size dependence von Stefanov, Boris B., Raghavachari, Krishnan

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Symmetry handling in calculations of properties of atoms in molecules von Cioslowski, Jerzy, Stefanov, Boris B.

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Analytical derivatives of atomic zero-flux surfaces and properties of atoms in molecules with respect to external perturbations von Cioslowski, Jerzy, Stefanov, Boris B.

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Accurate density functional thermochemistry for larger molecules von RAGHAVACHARI, By KRISHNAN, STEFANOV, BORIS B., CURTISS, LARRY A.

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Perfluorinated n -Alkanes C m F 2 m +2 ( m < 7):  Second pVT -Virial Coefficients, Viscosities, and Diffusion Coefficients Calculated by Means of an ( n -6) Lennard-Jones Temperatu... von Hohm, Uwe, Zarkova, Lydia, Stefanov, Boris B.

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Accurate thermochemistry for larger molecules: Gaussian-2 theory with bond separation energies von Raghavachari, Krishnan, Stefanov, Boris B., Curtiss, Larry A.

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Photoabsorption of the neutral oxygen vacancy in silicate and germanosilicate glasses: First-principles calculations von Stefanov, Boris B., Raghavachari, Krishnan

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Silicon Epoxide: Unexpected Intermediate during Silicon Oxide Formation von Stefanov, Boris B., Gurevich, Alejandra B., Weldon, Marcus K., Raghavachari, Krishnan, Chabal, Yves. J.

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Assessment of complete basis set methods for calculation of enthalpies of formation von Curtiss, Larry A., Raghavachari, Krishnan, Redfern, Paul C., Stefanov, Boris B.

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Simultaneous Data Regeneration and Digital Label Swapping in an SOA-MZI Device von Feuer, Mark D., Hruska, Christina, Wang, Hongsheng, Spiekman, Leo H., Stefanov, Boris B., Vaishampayan, Vinay A.

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Electron flow and electronegativity equalization in the process of bond formation von CIOSLOWSKI, J, STEFANOV, B. B

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