Search Results - Density functionals

Refine Results
  1. Cover Image

    Iridium Phosphinidene Complexes: A Comparison with Iridium Imido Complexes in Their Reaction with lsocyanides. by Aktas, Halil, Mulder, Jos, de Kanter, Frans J. J., Slootweg, J. Chris, Schakel, Marius, Ehlers, Andreas W., Lutz, Martin, Spek, Anthony L., Lammertsma, Koop

    Published in Journal of the American Chemical Society (9/23/2009)

    View this record in EBSCOhost
    Article
  2. Cover Image

    Crystal Structure of Ammonia Monohydrate Phase II. by Fortes, A. Dominic, Suard, Emmanuelle, Lemée-CaiIIeau, Marie-Hélëne, Pickard, Christopher J., Needs, Richard J.

    Published in Journal of the American Chemical Society (9/23/2009)

    View this record in EBSCOhost
    Article
  3. Cover Image

    Mechanistic Study of the sPLA-Mediated Hydrolysis of a Thio-ester Pro Anticancer Ether Lipid. by Linderoth, Lars, Fristrup, Peter, Hansen, Martin, Melander, Fredrik, Madsen, Robert, Andresen, Thomas L., Peters, Günther H.


    View this record in EBSCOhost
    Article
  4. Cover Image

    Correlating Particle Size and Shape of Supported Ru/γ-AlO Catalysts with NH Decomposition Activity. by Karim, Ayman M., Prasad, Vinay, Mpourmpakis, Giannis, Lonergan, William W., Frenkel, Anatoly I., Chen, Jingguang G., Vlachos, Dionisios G.


    View this record in EBSCOhost
    Article
  5. Cover Image

    Triplet Excimer Formation in Platinum-Based Phosphors: A Theoretical Study of the Roles of Pt-Pt Bimetallic Interactions and Interligand π-π Interactions. by Dongwook Kim, Brédas, Jean-Luc

    Published in Journal of the American Chemical Society (8/19/2009)

    View this record in EBSCOhost
    Article
  6. Cover Image

    Reaction Mechanisms for the CO Oxidation on Au/CeO Catalysts: Activity of Substitutional Au/AuCations and Deactivation of Supported Au Adatoms. by Camellone, Matteo Farnesi, Fabris, Stefano


    View this record in EBSCOhost
    Article
  7. Cover Image

    Regioselectivity in the Reductive Bond Cleavage of Diarylalkylsulfonium Salts: Variation with Driving Force and Structure of Sulfuranyl Radical Intermediates. by Kampmeier, Jack A., Hoque, Mansurul, Saeva, Frankhn D., Wedegaertner, Donald K., Thomsen, Pia, UlIah, Salt, Krake, Jacob, Lund, Torben

    Published in Journal of the American Chemical Society (7/29/2009)

    View this record in EBSCOhost
    Article
  8. Cover Image

    Temperature Dependence of Blue Phosphorescent Cyclometalated Ir(III) Complexes. by Sajoto, Tissa, Djurovich, Peter I., Tamayo, Arnold B., Oxgaard, Jonas, Goddard III, William A., Thompson, Mark E.

    Published in Journal of the American Chemical Society (7/22/2009)

    View this record in EBSCOhost
    Article
  9. Cover Image

    Hydrogen-Promoted Oxygen Activation by Free Gold Cluster Cations. by Lang, Sandra M., Bernhardt, Thorsten M., Barnett, Robert N., Bokwon Yoon, Landman, Uzi


    View this record in EBSCOhost
    Article
  10. Cover Image

    Capturing and Analyzing the Excited-State Structure of a Cu(l) Phenanthroline Complex by Time-Resolved Diffraction and Theoretical Calculations. by Vorontsov, Ivan I., Graber, Tim, Kovalevsky, Andrey Yu., Novozhilova, Irma V., Gembicky, Milan, Yu-Sheng Chen, Coppens, Philip

    Published in Journal of the American Chemical Society (5/13/2009)

    View this record in EBSCOhost
    Article
  11. Cover Image

    Ab Initio Study of Hydrogen Adsorption in MOF-5. by SiIlar, Kaido, Hofmann, Alexander, Sauer, Joachim

    Published in Journal of the American Chemical Society (3/25/2009)

    View this record in EBSCOhost
    Article
  12. Cover Image

    2-Indenylidene Pincer Complexes of Zirconium and Palladium. by Ouljé, Pascal, Nebra, Noel, Saffon, Nathalie, Maron, Laurent, Martin-Vaca, Blanca, Bourissou, Didier

    Published in Journal of the American Chemical Society (3/18/2009)

    View this record in EBSCOhost
    Article
  13. Cover Image

    DENSITY-1-BOUNDING AND QUASIMINIMALITY IN THE GENERIC DEGREES. by CHOLAK, PETER, IGUSA, GREGORY

    Published in Journal of Symbolic Logic (Sep2017)

    View this record in EBSCOhost
    Article
  14. Cover Image

    Sequence-Scrambling Fragmentation Pathways of Protonated Peptides. by Bleiholder, Christian, Osburn, Sandra, Williams, Todd D., Suhai, Sándor, Van Stipdonk, Michael, Harrison, Alex G., Paizs, Béla

    Published in Journal of the American Chemical Society (12/31/2008)

    View this record in EBSCOhost
    Article
  15. Cover Image

    Electron Emission Originated from Free-Electron-like States of Alkali-Doped Boron—Nitride Nanotubes. by Binghai Yan, Changwon Park, Ihm, Jisoon, Gang Zhou, Wenhui Duan, Noejung Park

    Published in Journal of the American Chemical Society (12/17/2008)

    View this record in EBSCOhost
    Article
  16. Cover Image

    Is the Bound Substrate in Nitric Oxide Synthase Protonated or Neutral and What Is the Active Oxidant that Performs Substrate Hydroxylation? by de Visser, Sam P., Lee Siew Tan

    Published in Journal of the American Chemical Society (10/1/2008)

    View this record in EBSCOhost
    Bibliography
  17. Cover Image

    Nitrosyl Derivatives of Diiron(I) Dithiolates Mimic the Structure and Lewis Acidity of the [FeFe]-Hydrogenase Active Site. by Olsen, Matthew T., Bruschi, Maurizio, De Gioia, Luca, Rauchfuss, Thomas B., Wilson, Scott A.

    Published in Journal of the American Chemical Society (9/10/2008)

    View this record in EBSCOhost
    Article
  18. Cover Image

    Multiethynyl Corannulenes: Synthesis, Structure, and Properties. by Yao-Ting Wu, Bandera, Davide, Maag, Roman, Linden, Anthony, Baldridge, Kim K., Siegel, Jay S.

    Published in Journal of the American Chemical Society (8/13/2008)

    View this record in EBSCOhost
    Article
  19. Cover Image

    Origin of the S2 Benzylic Effect. by Galabov, Boris, Nikolova, Valia, Wiike, Jeremiah J., Schaefer III, Henry F., Allen, Wesley D.

    Published in Journal of the American Chemical Society (7/30/2008)

    View this record in EBSCOhost
    Article
  20. Cover Image

    The Mechanism of the Rhodium(I)-Catalyzed [2 + 2 + 1] Carbocyclization Reaction of Dienes and CO: A Computational Study. by Pitcock Jr., William H., Lord, Richard L., Mu-Hyun Baik

    Published in Journal of the American Chemical Society (4/30/2008)

    View this record in EBSCOhost
    Article

Search Tools: