Tags: chemistry

Resources (1-20 of 50)

  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...

    https://nanohub.org/resources/6874

  2. Chemistry of Molecular Monolayers

    16 Feb 2005 | Online Presentations | Contributor(s): David Allara

    Chemistry of Molecular Monolayers

    https://nanohub.org/resources/145

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

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

    https://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

    https://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

    https://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

    https://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

    https://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.

    https://nanohub.org/resources/10893

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

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

    https://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

    https://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

    https://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

    https://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

    https://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

    https://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

    https://nanohub.org/resources/10951

  16. CHM 696: Supramolecular and Nanostructured Materials

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

    https://nanohub.org/resources/10888

  17. CNDO/INDO

    29 Feb 2008 | Tools | Contributor(s): Baudilio Tejerina, Jeff Reimers

    Semi-empirical Molecular Orbital calculations.

    https://nanohub.org/resources/CNDO

  18. Computational Chemistry: An Introduction to Molecular Dynamic Simulations

    13 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...

    https://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...

    https://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...

    https://nanohub.org/resources/160