'Ab initio method' presentation slideshows

First Principle Electronic Structure Calculation

First Principle Electronic Structure Calculation. Prof. Kim Jai Sam (279-2077). Students : Lee Geun Sik, Yun So Jeong. Lab. ?? 4-125 (279-5523). http://ctcp.postech.ac.kr. Our Research Area. Optical property of nanocrystal (Yun) ? optoelectronics, biology

1.04k views • 37 slides

Ab Initio Direct (Chemical) Dynamics Nonadiabatic Reactions X Statistical Methods X

Ab Initio Direct (Chemical) Dynamics Nonadiabatic Reactions X Statistical Methods X Adiabatic Reactions . What do we want to know?. Products Rate coefficients, reaction cross sections, initial state dependence, final state distribution, state to state cross sections, Mechanism.

391 views • 28 slides

Computational Spectroscopy Introduction and Context

Computational Spectroscopy Introduction and Context. Chemistry 713 (a) What is spectroscopy? (b) Model Chemistries. What is Spectroscopy?. A plot of light intensity or power as a function of frequency, ? , or wavelength, ?

371 views • 20 slides

Predictive Methods Using DNA Sequences

Predictive Methods Using DNA Sequences. 5.1 Introduction 5.2 Gene prediction methods 5.3 Gene prediction programs 5.4 How well do the methods work? 5.5 Promoter analysis: characterization and prediction 5.6 Strategies and considerations 5.7 Visualization and tergration tools 5.8 Summary.

1.86k views • 13 slides

Ab initio calculations of the excited states and spectra of HCl

160 views • 1 slides