'Dissociation energy' presentation slideshows

Infrared (IR) Spectroscopy

Infrared (IR) Spectroscopy. IR deals with the interaction of infrared radiation with matter. The IR spectrum of a compound can provide important information about its chemical nature and molecular structure.

2.58k views • 70 slides

Chapter 7

1.4k views • 67 slides

Objectives of this course - Presentation of basic knowledge about the computational

Objectives of this course - Presentation of basic knowledge about the computational methods of theoretical chemistry - In particular about their reliability, the range of applicability and expected accuracy in solving problems of structural

390 views • 28 slides

Biswawajit Santra, Angelos Michaelides, and Matthias Scheffler

Accuracy of DFT Exchange-Correlation Functionals for H bonds in Small Water Clusters: Benchmarks Approaching the Complete Basis Set Limit. Biswawajit Santra, Angelos Michaelides, and Matthias Scheffler. Fritz-Haber-Institut der MPG. Outline.

355 views • 24 slides

CHEM 515 Spectroscopy

CHEM 515 Spectroscopy. Lecture # 8 Quantum Mechanical Solution for Harmonic Oscillators. Harmonic Oscillator Model. This kind of motion is called simple harmonic motion and the system a simple harmonic oscillator. Potential Energy for Harmonic Oscillator.

530 views • 14 slides

Gas-Surface Interaction

96 views • 9 slides

Gas-Surface Interaction

87 views • 8 slides

Quantum Mechanical Methods for Drug Design Ting Zhou, Danzhi Huang, and Amedeo Caflisch

Quantum Mechanical Methods for Drug Design Ting Zhou, Danzhi Huang, and Amedeo Caflisch Department of Biochemistry,University of Zurich, Winterthurerstrasse 190, CH-8057 Zurich, Switzerland Current Topics in Medicinal Chemistry Volume 10, Number 1, January 2010

218 views • 3 slides