Evidence for hydrogen two-level systems in atomic layer deposition oxides von Khalil, M. S., Stoutimore, M. J. A., Gladchenko, S., Holder, A. M., Musgrave, C. B., Kozen, A. C., Rubloff, G., Liu, Y. Q., Gordon, R. G., Yum, J. H., Banerjee, S. K., Lobb, C. J., Osborn, K. D.

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Oxide enthalpy of formation and band gap energy as accurate descriptors of oxygen vacancy formation energetics von Deml, Ann M, Stevanovic, Vladan, Muhich, Christopher L, Musgrave, Charles B, O'Hayre, Ryan

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Hydrogen abstraction from a diamond(111) surface in a uniform electric field von Ricca, A, Bauschlicher, C.W, Kang, J.K, Musgrave, C.B

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Use of quantum methods for a consistent approach to combustion modelling: hydrocarbon bond dissociation energies von Senosiain, J P, Han, J H, Musgrave, C B, Golden, D M

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Predicting ionic conductivity of solid oxide fuel cell electrolyte from first principles von Pornprasertsuk, Rojana, Ramanarayanan, Panchapakesan, Musgrave, Charles B., Prinz, Fritz B.

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Reactions of methylamines at the Si(100)-2×1 surface von Mui, Collin, Wang, George T., Bent, Stacey F., Musgrave, Charles B.

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Molecular Layer Deposition of Conductive Hybrid Organic-Inorganic Thin Films Using Diethylzinc and Hydroquinone von Yoon, Byunghoon, Lee, Younghee, Derk, Alan, Musgrave, Charles, George, Steven

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Prediction of transition state barriers and enthalpies of reaction by a new hybrid density-functional approximation von Kang, Jeung Ku, Musgrave, Charles B.

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Quantum chemical study of the mechanism of aluminum oxide atomic layer deposition von Widjaja, Yuniarto, Musgrave, Charles B.

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Theoretical study of the Cl-passivated Si(111) surface von Ricca, Alessandra, Musgrave, Charles B.

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Adsorption of organic matter at mineral/water interfaces: I. ATR-FTIR spectroscopic and quantum chemical study of oxalate adsorbed at boehmite/water and corundum/water interfaces von Yoon, Tae Hyun, Johnson, Stephen B., Musgrave, Charles B., Brown, Gordon E.

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The effect of an electric field on the chemical vapour deposition of (100) diamond von Kang, Jeung Ku, Musgrave, Charles B

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A DFT Study of the Al2O3 Atomic Layer Deposition on SAMs:  Effect of SAM Termination von Xu, Ye, Musgrave, Charles B

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Proton Transfer Reactions on Semiconductor Surfaces von Mui, Collin, Han, Joseph H, Wang, George T, Musgrave, Charles B, Bent, Stacey F

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A Quantum Chemical Study of the Atomic Layer Deposition of Al2O3 Using AlCl3 and H2O as Precursors von Heyman, Annica, Musgrave, Charles B

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First-principles calculations of structural and electronic properties of monoclinic hafnia surfaces von Mukhopadhyay, Atashi B., Sanz, Javier F., Musgrave, Charles B.

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Atomic layer deposition of hafnium oxide: A detailed reaction mechanism from first principles von Widjaja, Yuniarto, Musgrave, Charles B.

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The mechanism of HF/H2O chemical etching of SiO2 von Kang, Jeung Ku, Musgrave, Charles B.

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A density functional theory study of the nonlocal effects of NH3 adsorption and dissociation on Si(100)-(2 × 1) von WIDJAJA, Yuniarto, MUSGRAVE, Charles B

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First-principles calculation of intrinsic defect formation volumes in silicon von CENTONI, Scott A, SADIGH, Babak, GILMER, George H, LENOSKY, Thomas J, DIAZ DE LA RUBIA, Tomas, MUSGRAVE, Charles B

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