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Tags: chemistry

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Online Presentations

  • 7.6 Ranking Hess: Einstein/Bohr Debate and Quantum ...

    Einstein/Bohr Debate and Quantum Computing

    Type Online Presentations
    Contributor(s) Karl Hess
    Date 13 Oct. 2005
    Avg. Rating 4.0 out of 5 stars  (1)
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    Einstein/Bohr Debate and Quantum Computing

  • 6.1 Ranking Allara: Chemistry of Molecular Monolayers

    Chemistry of Molecular Monolayers

    Type Online Presentations
    Contributor(s) David Allara
    Date 16 Feb. 2005
    Avg. Rating 0.0 out of 5 stars  (0)
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    Chemistry of Molecular Monolayers

  • 6.0 Ranking Ratner: Quantum Chemistry Part I

    Quantum Chemistry Part I

    Type Online Presentations
    Contributor(s) Mark A. Ratner
    Date 15 Feb. 2005
    Avg. Rating 0.0 out of 5 stars  (0)
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    This tutorial will provide an overview of electronic structure calculations from a chemist's perspective. This will include a review of the basic electronic structure theories.

  • 5.9 Ranking Prezhdo: Dynamics on the Nanoscale: ...

    Dynamics on the Nanoscale: Time-domain ab initio studies of quantum dots, carbon nanotubes and molecule-semiconductor interfaces

    Type Online Presentations
    Contributor(s) Oleg Prezhdo, NCN SLC@Northwestern
    Date 01 Feb. 2008
    Avg. Rating 0.0 out of 5 stars  (0)
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    Device miniaturization requires an understanding of the dynamical response of materials on the nanometer scale. A great deal of experimental and theoretical work has been devoted to characterizing the excitation, charge, spin, and vibrational dynamics in a variety of novel materials, including ...

  • 5.9 Ranking Schatz: Quantum Chemistry Part II

    Quantum Chemistry Part II

    Type Online Presentations
    Contributor(s) George C. Schatz
    Date 22 Nov. 2005
    Avg. Rating 0.0 out of 5 stars  (0)
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    This tutorial will provide an overview of electronic structure calculations from a chemist's perspective. This will include a review of the basic electronic structure theories.

  • 5.8 Ranking Weaver: Teaching approaches for including ...

    Teaching approaches for including nanotechnology and other current topics in the undergraduate curriculum: Context, inquiry and authentic science practice

    Type Online Presentations
    Contributor(s) Gabriela C. Weaver
    Date 14 May. 2006
    Avg. Rating 0.0 out of 5 stars  (0)
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    Topics in nanotechnology and nanoscience are unlikely to be found to any great extent in traditional instructional materials, including textbooks and laboratory manuals. While this may change in the future, it would be useful for today's undergraduate classroom to make use of teaching approaches ...

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Teaching Materials

  • 10.0 Ranking Grossman: Computational Nanoscience, Lecture ...

    Computational Nanoscience, Lecture 4: Geometry Optimization and Seeing What You're Doing

    Type Teaching Materials
    Contributor(s) Jeffrey C Grossman, Elif Ertekin
    Date 13 Feb. 2008
    Avg. Rating 5.0 out of 5 stars  (1)
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    In this lecture, we discuss various methods for finding the ground state structure of a given system by minimizing its energy. Derivative and non-derivative methods are discussed, as well as the importance of the starting guess and how to find or generate good initial structures. We also briefly ...

  • 9.4 Ranking Bonilla: Molecular Orbital Theory

    Molecular Orbital Theory

    Type Teaching Materials
    Contributor(s) Luis Emmanuel Bonilla
    Date 18 Dec. 2006
    Avg. Rating 0.0 out of 5 stars  (0)
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    This is the seventh contribution from the students in the University of Texas at El Paso Molecular Electronics course given in the fall of 2006. Luis Bonilla and Abel Perez have designed a presentation on molecular orbital theory for high school students.Abel Perez: I obtained my BS at Instituto ...

  • 8.7 Ranking Lair: Computational Chemistry: An ...

    Computational Chemistry: An Introduction to Molecular Dynamic Simulations

    Type Teaching Materials
    Contributor(s) Shalayna Lair
    Date 13 Dec. 2006
    Avg. Rating 0.0 out of 5 stars  (0)
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    This module gives a brief overview of computational chemistry, a branch of chemistry concerned with theoretically determining properties of molecules. The fundamentals of how to conduct a computational project are discussed as well as the variety of different models that can be used. Because of ...

  • 0.0 Ranking Sinnott: REBO Nanofluidics Exercise

    REBO Nanofluidics Exercise

    Type Teaching Materials
    Contributor(s) Susan Sinnott, Hetal Patel
    Date 09 Jun. 2004
    Avg. Rating 0.0 out of 5 stars  (0)
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    Nanofluidics exercise showing the variation of energy and position of methane and butane molecules flowing through an opened carbon nanotube as the system temperature and the length of the nanotube are varied.

Downloads

  • 10.0 Ranking Xie: Molecular Workbench: An Interface ...

    Molecular Workbench: An Interface to the Molecular World

    Type Downloads
    Contributor(s) Charles Xie
    Date 31 Aug. 2006
    Avg. Rating 5.0 out of 5 stars  (2)
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    The Molecular Workbench software is a free, open-source modeling and authoring program specifically designed for use in science education. Powered by a set of real-time molecular simulation engines that compute and visualize the motion of particles interacting through force fields, in both 2D and ...

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