Molecular dynamics and charge transport in organic semiconductors: a classical approach to modeling electron transfer von Pelzer, Kenley M, Vázquez-Mayagoitia, Álvaro, Ratcliff, Laura E, Tretiak, Sergei, Bair, Raymond A, Gray, Stephen K, Van Voorhis, Troy, Larsen, Ross E, Darling, Seth B

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Molecular dynamics and charge transport in organic semiconductors: a classical approach to modeling electron transferElectronic supplementary information (ESI) available. See DOI:... von Pelzer, Kenley M, Vázquez-Mayagoitia, Álvaro, Ratcliff, Laura E, Tretiak, Sergei, Bair, Raymond A, Gray, Stephen K, Van Voorhis, Troy, Larsen, Ross E, Darling, Seth B

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Theoretical studies of the ground and excited states of a model of the active site in oxidized and reduced rubredoxin von Bair, Raymond A, Goddard, William A

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Development and Use of a Virtual NMR Facility von Keating, Kelly A, Myers, James D, Pelton, Jeffrey G, Bair, Raymond A, Wemmer, David E, Ellis, Paul D

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Theoretical studies of the energetics and mechanisms of chemical reactions: abstraction reactions von Dunning, Thom. H, Harding, Lawrence B, Bair, Raymond A, Eades, Robert A, Shepard, Ron L

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Ab initio studies of the structures of peroxides and peroxy radicals von Bair, Raymond A, Goddard, William A

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Theoretical studies of the oxidized and reduced states of a model for the active site of rubredoxin von Bair, Raymond A, Goddard, William A

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An Ab initio determination of the rate constant for H2 + CN → H + HCN von Wagner, Albert F., Bair, Raymond A.

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Large-scale simulations of buoyancy-driven turbulent nuclear burning von Townsley, D M, Bair, R A, Dubey, A, Fisher, R T, Hearn, N C, Lamb, D Q, Riley, K M

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Theoretical studies of the reactions of HCN with atomic hydrogen von BAIR, R. A, DUNNING, T. H. JR

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Optimization of the Generalized Valence Bond Method for Vector Processors von Bair, Raymond A.

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An Ab initio determination of the rate constant for H 2 + CN → H + HCN von Wagner, Albert F., Bair, Raymond A.

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Quantum chemistry with an attached processor von Bair, Raymond A., Dunning Jr, Thomas H.

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Ab Initio Studies of the X-Ray Absorption Edge in Copper Complexes. I.--Atomic Cu2+ and Cu(II)Cl2 von Bair, R A, Goddard, WAIII

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Quantum chemical calculations using the floating point systems, Inc. Model 164 attached processor von Shepard, Ron, Bair, Raymond A., Eades, Robert A., Wagner, Albert F., Davis, Michael J., Harding, Lawrence B., Dunning Jr, Thom H.

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Ab initio studies of the x-ray absorption edge in copper complexes. I. Atomic Cu 2 + and Cu(ii) Cl 2 von Bair, Raymond A., Goddard, William A.

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Chemical Computations on an Attached Processor: Quantum Chemistry Applications von Dunning, Thom. H., Bair, Raymond A.

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Don’t move a mussel: The role of key environmental drivers and management scale in assessing spatial variation in dreissenid spread risk in the Missouri River basin von Raymond, Joseph, Bair, Lucas S., Counihan, Timothy D., Daniel, Wesley M., Duntugan, Sofie, Neilson, Matthew E., Springborn, Michael

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Higher docosahexaenoic acid levels lower the protective impact of eicosapentaenoic acid on long-term major cardiovascular events von Le, Viet T., Knight, Stacey, Watrous, Jeramie D., Najhawan, Mahan, Dao, Khoi, McCubrey, Raymond O., Bair, Tami L., Horne, Benjamin D., May, Heidi T., Muhlestein, Joseph B., Nelson, John R., Carlquist, John F., Knowlton, Kirk U., Jain, Mohit, Anderson, Jeffrey L.

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Beta-blocker Dosage and Outcomes After Acute Coronary Syndrome von Allen, Jason E., MD, Knight, Stacey, PhD, McCubrey, Raymond O., MS, Bair, Tami, BS, Muhlestein, J. Brent, MD, Goldberger, Jeffrey J., MD, Anderson, Jeffrey L., MD

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