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Tags: chemistry

Resources (21-40 of 51)

  1. 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

  2. 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

  3. How Chemistry Records the History of People and Products

    23 Sep 2010 | Online Presentations | Contributor(s): Gabriel Bowen

    I know what you did last summer... and where you were and what you ate and what you drank.

    http://nanohub.org/resources/9765

  4. Nano*High: From Atoms to Electricity: An Introduction to Nuclear Power, Its Promise and Challenge

    02 Feb 2010 | Online Presentations | Contributor(s): Brian D. Wirth

    Lawrence Berkeley National Laboratory Nano*High. Professor Brian Wirth from the UC Berkeley Dept. of Nuclear Engineering presents the basics of nuclear science, and discusses the technological...

    http://nanohub.org/resources/5477

  5. 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

  6. Optical and Thermodynamic properties of noble metal nanoparticles. Effect of chemical functionalization.

    06 May 2009 | Teaching Materials | Contributor(s): Baudilio Tejerina, George C. Schatz

    This laboratory is intended to introduce the student to the use of semiempirical electronic structure methods. In particular, the semiempirical methods will be applied to the study of metallic...

    http://nanohub.org/resources/6741

  7. How Chemical Engineers Will Save the World

    26 Mar 2009 | Online Presentations | Contributor(s): William F. Banholzer

    The world is facing massive challenges brought on by population growth, economic meltdowns, and environmental constraints. Scientific solutions are needed now more than ever. In this seminar, an...

    http://nanohub.org/resources/6462

  8. nano-Materials Simulation Toolkit Quick Demo

    18 Oct 2008 | Online Presentations | Contributor(s): Alejandro Strachan

    Demonstraton of the nanoHUB tool "nano-Materials Simulation Toolkit."

    http://nanohub.org/resources/5613

  9. Northwestern University Initiative for Teaching Nanoscience

    12 Aug 2008 | Tools | Contributor(s): Baudilio Tejerina

    This package allows users to study and analyze of molecular properties using various electronic structure methods.

    http://nanohub.org/resources/nuitns

  10. Theoretical Electron Density Visualizer

    01 Jul 2008 | Tools | Contributor(s): Baudilio Tejerina

    TEDVis calculates and displays 3D maps of molecular ED and its derivatives from the wave function.

    http://nanohub.org/resources/tedvis

  11. CNDO/INDO

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

    Semi-empirical Molecular Orbital calculations.

    http://nanohub.org/resources/CNDO

  12. 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

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

    31 Jan 2008 | Online Presentations | Contributor(s): Oleg Prezhdo

    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...

    http://nanohub.org/resources/3951

  14. Introduction to and Advances in Self-Healing Polymers

    14 Jun 2007 | Online Presentations | Contributor(s): Gerald O. Wilson

    The presenter briefly introduces the topic of Self-Healing Polymer research and continues to give a Survey of Ruthenium Metathesis Catalysts for Ring Opening Metathesis Polymerization-Based...

    http://nanohub.org/resources/2808

  15. From Research to Learning in Chemistry through Visualization and Computation

    17 May 2007 | Online Presentations | Contributor(s): Eric Jakobsson

    Modern chemistry research and high school chemistry education are separated by institutional and geographical boundaries. As such, much of secondary chemistry education is still based on the...

    http://nanohub.org/resources/2725

  16. Simple Harmonic Oscillator

    15 Feb 2007 | Online Presentations | Contributor(s): Heng Li

    One of the most important model systems in quantum mechanics because a wide variaty of physical situations can be reduced to it either exactly or approximately. In particular, a system near an...

    http://nanohub.org/resources/2337

  17. Particle in a Box

    15 Feb 2007 | Online Presentations | Contributor(s): Heng Li

    The particle in a box (or the infinite potential well) is a simple idealized system that is completely solved within quantun mechanics. The infinite potential well is a finite sized region in...

    http://nanohub.org/resources/2339

  18. Hydrophobicity Lab

    24 Jul 2006 | Tools | Contributor(s): Eric F Darve, Artit Wangperawong, Kazutora Hayashida

    Study hydrophobicity and how Lennard Jones particles cluster in a polar solvent

    http://nanohub.org/resources/hydrolab

  19. Molecular Orbital Theory

    18 Dec 2006 | Teaching Materials | Contributor(s): Luis Emmanuel Bonilla

    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...

    http://nanohub.org/resources/2116

  20. 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

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.