Works by Windus, Theresa L.

Results: 18
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    General atomic and molecular electronic structure system.

    Published in:
    Journal of Computational Chemistry, 1993, v. 14, n. 11, p. 1347, doi. 10.1002/jcc.540141112
    By:
    • Schmidt, Michael W.;
    • Baldridge, Kim K.;
    • Boatz, Jerry A.;
    • Elbert, Steven T.;
    • Gordon, Mark S.;
    • Jensen, Jan H.;
    • Koseki, Shiro;
    • Matsunaga, Nikita;
    • Nguyen, Kiet A.;
    • Su, Shujun;
    • Windus, Theresa L.;
    • Dupuis, Michel;
    • Montgomery, John A.
    Publication type:
    Article
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    Accurate heats of formation and acidities for H3PO4, H2SO4, and H2CO3 from ab initio electronic structure calculationsThe authors dedicate this work to the memory of Sir John Pople, whose systematic formulation of model systems drastically improved the quantitative nature of theoretical and computational chemistry and whose dedication to science has been an inspiration to the authors.

    Published in:
    International Journal of Quantum Chemistry, 2005, v. 102, n. 5, p. 775, doi. 10.1002/qua.20359
    By:
    • Alexeev, Yuri;
    • Windus, Theresa L.;
    • Zhan, Chang‐Guo;
    • Dixon, David A.
    Publication type:
    Article
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    Component-based integration of chemistry and optimization software.

    Published in:
    Journal of Computational Chemistry, 2004, v. 25, n. 14, p. 1717, doi. 10.1002/jcc.20091
    By:
    • Kenny, Joseph P.;
    • Benson, Steven J.;
    • Alexeev, Yuri;
    • Sarich, Jason;
    • Janssen, Curtis L.;
    • Mcinnes, Lois Curfman;
    • Krishnan, Manojkumar;
    • Nieplocha, Jarek;
    • Jurrus, Elizabeth;
    • Fahlstrom, Carl;
    • Windus, Theresa L.
    Publication type:
    Article
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