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Tags: chemistry

Resources (41-51 of 51)

  1. REBO

    24 Jul 2006 | Tools | Contributor(s): Wen-Dung Hsu, SeongJun Heo, Jing Xu, Susan Sinnott

    ???

    http://nanohub.org/resources/rebomd

  2. Molecular Workbench: An Interface to the Molecular World

    25 Jun 2006 | Downloads | Contributor(s): Charles Xie

    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...

    http://nanohub.org/resources/1592

  3. nano-Materials Simulation Toolkit

    08 Aug 2006 | Tools | Contributor(s): Alejandro Strachan, Amritanshu Palaria, Ya Zhou, Janam Jhaveri

    Molecular Dynamics simulations of nano-materials

    http://nanohub.org/resources/matsimtk

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

    02 May 2006 | Online Presentations | Contributor(s): Gabriela C. Weaver

    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...

    http://nanohub.org/resources/1276

  5. QC-Lab

    14 Feb 2006 | Tools | Contributor(s): Baudilio Tejerina

    Quantum Chemsitry Lab: Ab Initio and DFT molecular and electronic structure calculations of small molecules

    http://nanohub.org/resources/qclab

  6. Quantum Chemistry Part II

    08 Jul 2004 | Online Presentations | Contributor(s): George C. Schatz

    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.

    http://nanohub.org/resources/500

  7. Einstein/Bohr Debate and Quantum Computing

    10 May 2005 | Online Presentations | Contributor(s): Karl Hess

    This presentation deals with the Einstein/Bohr Debate and Quantum Computing.

    http://nanohub.org/resources/384

  8. Chemistry of Molecular Monolayers

    09 Jul 2003 | Online Presentations | Contributor(s): David Allara

    Chemistry of Molecular Monolayers

    http://nanohub.org/resources/145

  9. Quantum Chemistry Part I

    08 Jul 2004 | Online Presentations | Contributor(s): Mark A. Ratner

    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.

    http://nanohub.org/resources/496

  10. REBO Nanofluidics Exercise

    10 May 2006 | Teaching Materials | Contributor(s): Susan Sinnott, Hetal Patel

    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...

    http://nanohub.org/resources/1270

  11. Contacting Molecules - Chemistry in Molecular Electronics

    12 Apr 2004 | Online Presentations | Contributor(s): Ilona Kretzschmar

    The study of the basic electron transport mechanism through molecular systems has been made accessible by fabrication techniques that create metallic contacts to a small number of organic...

    http://nanohub.org/resources/160

nanoHUB.org, a resource for nanoscience and nanotechnology, is supported by the National Science Foundation and other funding agencies. Any opinions, findings, and conclusions or recommendations expressed in this material are those of the author(s) and do not necessarily reflect the views of the National Science Foundation.