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Tags: chemistry

Resources (1-20 of 51)

  1. ABINIT: First-Time User Guide

    09 Jun 2009 | Teaching Materials | Contributor(s): Benjamin P Haley

    This first-time user guide provides an introduction to using ABINIT on nanoHUB. We include a very brief summary of Density Functional Theory along with a tour of the Rappture interface. We...

    http://nanohub.org/resources/6874

  2. Chemistry of Molecular Monolayers

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

    Chemistry of Molecular Monolayers

    http://nanohub.org/resources/145

  3. CHM 696 Lecture 10: Supramolecular Chemistry of Metal Nanoparticles

    10 Mar 2011 | Online Presentations | Contributor(s): Alexander Wei

    http://nanohub.org/resources/10952

  4. CHM 696 Lecture 14: Semiconductor Nanoparticles, Nanorods, and Nanowires: Properties and Applications I

    02 Jun 2011 | Online Presentations | Contributor(s): Alexander Wei

    http://nanohub.org/resources/11369

  5. CHM 696 Lecture 15: Semiconductor Nanoparticles, Nanorods, and Nanowires: Properties and Applications II

    02 Jun 2011 | Online Presentations | Contributor(s): Alexander Wei

    http://nanohub.org/resources/11373

  6. CHM 696 Lecture 16: Research Proposals, Grantwriting, and the Peer Review Process

    02 Jun 2011 | Online Presentations | Contributor(s): Alexander Wei

    http://nanohub.org/resources/11381

  7. CHM 696 Lecture 1: Molecular Recognition of Non-Spherical Ions/Hydrogen Bonding

    22 Feb 2011 | Online Presentations | Contributor(s): Alexander Wei

    Molecular recognition of non-spherical ions: cations, anions, and chiral molecules; Hydrogen Bonding in molecular recognition

    http://nanohub.org/resources/10889

  8. CHM 696 Lecture 2: Molecular Recognition of polar and Apolar Organic Molecules

    22 Feb 2011 | Online Presentations | Contributor(s): Alexander Wei

    Molecular recognition of polar and apolar organic molecules; Catenanes and rotaxanes; p-p, p-cation, and dispersion forces; Enthalpy-entropy compensation.

    http://nanohub.org/resources/10893

  9. CHM 696 Lecture 3: Dispersion Forces/Enthalpy Entropy Compensation

    10 Mar 2011 | Online Presentations | Contributor(s): Alexander Wei

    http://nanohub.org/resources/10945

  10. CHM 696 Lecture 4: Hydrogen Bonds and Other Directional Motifs/Encoded Self-Assembly

    10 Mar 2011 | Online Presentations | Contributor(s): Alexander Wei

    http://nanohub.org/resources/10946

  11. CHM 696 Lecture 5: Encoded Self-Assembly/Metal-Ligand Coordination Complexes

    11 Mar 2011 | Online Presentations | Contributor(s): Alexander Wei

    http://nanohub.org/resources/10947

  12. CHM 696 Lecture 6: Supramolecular Materials/Crystal Engineering and Metal-Organic Frameworks I

    21 Mar 2011 | Online Presentations | Contributor(s): Alexander Wei

    http://nanohub.org/resources/10948

  13. CHM 696 Lecture 7: Supramolecular Materials/Crystal Engineering and Metal-Organic Frameworks II

    21 Mar 2011 | Online Presentations | Contributor(s): Alexander Wei

    http://nanohub.org/resources/10949

  14. CHM 696 Lecture 8: Self-Assembled Monolayers/Supramolecular Surface Science I

    25 Apr 2011 | Online Presentations | Contributor(s): Alexander Wei

    http://nanohub.org/resources/10950

  15. CHM 696 Lecture 9: Self-Assembled Monolayers/Supramolecular Surface Science II

    10 Mar 2011 | Online Presentations | Contributor(s): Alexander Wei

    http://nanohub.org/resources/10951

  16. CHM 696: Supramolecular and Nanostructured Materials

    22 Feb 2011 | Courses | Contributor(s): Alexander Wei

    http://nanohub.org/resources/10888

  17. CNDO/INDO

    09 Oct 2007 | Tools | Contributor(s): Baudilio Tejerina, Jeff Reimers

    Semi-empirical Molecular Orbital calculations.

    http://nanohub.org/resources/CNDO

  18. Computational Chemistry: An Introduction to Molecular Dynamic Simulations

    08 Dec 2006 | Teaching Materials | Contributor(s): Shalayna Lair

    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...

    http://nanohub.org/resources/2088

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

    13 Feb 2008 | Teaching Materials | Contributor(s): Jeffrey C Grossman, Elif Ertekin

    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...

    http://nanohub.org/resources/4035

  20. 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.