A Radically Configurable Six-State Compound von Barnes, Jonathan C., Fahrenbach, Albert C., Cao, Dennis, Dyar, Scott M., Frasconi, Marco, Giesener, Marc A., Benítez, Diego, Tkatchouk, Ekaterina, Chernyashevskyy, Oleksandr, Shin, Weon Ho, Li, Hao, Sampath, Srinivasan, Stern, Charlotte L., Sarjeant, Amy A., Hartlieb, Karel J., Liu, Zhichang, Carmieli, Raanan, Botros, Youssry Y., Choi, Jang Wook, Slawin, Alexandra M. Z., Ketterson, John B., Wasielewski, Michael R., Goddard, William A., Stoddart, J. Fraser

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Oxidation of Methanol on 2nd and 3rd Row Group VIII Transition Metals (Pt, Ir, Os, Pd, Rh, and Ru):  Application to Direct Methanol Fuel Cells von Kua, Jeremy, Goddard, William A

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A Two-Stage Mechanism of Bimetallic Catalyzed Growth of Single-Walled Carbon Nanotubes von Deng, Wei-Qiao, Xu, Xin, Goddard, William A

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Antibody Catalysis of the Oxidation of Water von Wentworth, Paul, Jones, Lyn H., Wentworth, Anita D., Zhu, Xueyong, Larsen, Nicholas A., Wilson, Ian A., Xu, Xin, Goddard, William A., Janda, Kim D., Eschenmoser, Albert, Lerner, Richard A.

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Pd-Mediated Activation of Molecular Oxygen in a Nonpolar Medium von Keith, Jason M, Nielsen, Robert J, Oxgaard, Jonas, Goddard, William A

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Prediction of Vapor Pressures and Enthalpies of Vaporization Using a COSMO Solvation Model von Lin, Shiang-Tai, Chang, Jaeeon, Wang, Shu, Goddard, William A, Sandler, Stanley I

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The Mechanism for Unimolecular Decomposition of RDX (1,3,5-Trinitro-1,3,5-triazine), an ab Initio Study von Chakraborty, Debashis, Muller, Richard P, Dasgupta, Siddharth, Goddard, William A

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Fluorinated Imidazoles as Proton Carriers for Water-Free Fuel Cell Membranes von Deng, Wei-Qiao, Molinero, Valeria, Goddard, William A

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Ultra-elastic and inelastic impact of Cu nanoparticles von Han, L.B., An, Q., Luo, S.N., Goddard, W.A.

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Poly(amidoamine) Dendrimers:  A New Class of High Capacity Chelating Agents for Cu(II) Ions von Diallo, Mamadou S, Balogh, Lajos, Shafagati, Abdul, Johnson, James H, Goddard, William A, Tomalia, Donald A

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Crystal Structures and Properties of Nylon Polymers from Theory von Dasgupta, Siddharth, Hammond, Willis B, Goddard, William A

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Self-Assembled Monolayer Mechanism for Corrosion Inhibition of Iron by Imidazolines von Ramachandran, Sunder, Tsai, Bao-Liang, Blanco, Mario, Chen, Huey, Tang, Yongchun, Goddard, William A

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Atomic level simulations on a million particles : the cell multipole method for Coulomb and London nonbond interactions von HONG-QIANG DING, KARASAWA, N, GODDARD, W. A

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Ab Initio Quantum Mechanical Study of the Structures and Energies for the Pseudorotation of 5‘-Dehydroxy Analogues of 2‘-Deoxyribose and Ribose Sugars von Brameld, Ken A, Goddard, William A

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Valence-bond charge-transfer model for nonlinear optical properties of charge-transfer organic molecules von Lu, D., Chen, G., Goddard, W.A. III, Perry, J.W.

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Mechanism and energetics for complexation of {sup 90}Y with 1,4,7,10-tetraazacyclododecane-1,4,7,10-tetraacetic acid (DOTA), a model for cancer radioimmunotherapy von Jang, Y.H., Blanco, M., Dasgupta, S., Keire, D.A., Shively, J.E., Goddard, W.A. III

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Conformations and Barriers of Haloethyl Radicals (CH2XCH2, X = F, Cl, Br, I):  Ab Initio Studies von Ihee, Hyotcherl, Zewail, Ahmed H, Goddard, William A

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Starburst dendrimers. 5. Molecular shape control von Naylor, Adel M, Goddard, William A, Kiefer, Garry E, Tomalia, Donald A

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Theoretical Studies of Ziegler-Natta Catalysis: Structural Variations and Tacticity Control von Bierwagen, Erik P, Bercaw, John E, Goddard, W. A

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DREIDING: a generic force field for molecular simulations von Mayo, Stephen L, Olafson, Barry D, Goddard, William A

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