What is new in Gaussian09:
Gaussian09 offers new features and performance enhancements which will enable you to model molecular systems of increasing size, with more accuracy, under a broader range of real world conditions. Some of these features includes;
Advanced Calculations Using Gaussian09:
predict the structures of transition states, and verify that the located stationary points are in fact minima and transition states. You can go on to compute the reaction path by following the intrinsic reaction coordinate (IRC) and determine which reactants and products are connected by a given transition structure.
Gaussian09 can predict a variety of spectra including IR and Raman, NMR, UV/Visible, Vibrational circular dichroism (VCD), Raman optical activity (ROA), Electronic circular dichroism (ECD), Optical rotary dispersion (ORD), Hyperfine spectra (microwave spectroscopy), Franck-Condon, Herzberg-Teller and Franck-Condon/Herzberg-Teller analyses.
Gaussian09 offers a variety of very accurate energy methods for predicting thermochemical quantities, Photochemistry and other Excited State Processes, and Solvent Effects can be taken into account when optimizing structures and predicting most molecular properties.
Follow the links below to get more information on capabilities, features and keywords of gaussian09.
GaussView is a graphical user interface designed to help you prepare input for submission to Gaussian and to examine graphically the output that Gaussian produces. GaussView is not integrated with the computational module of Gaussian, but rather is a front-end/back-end processor to aid in the use of Gaussian. GaussView provides three main benefits to Gaussian users.
1). GaussView offers you an advanced visualization facility.
2). GaussView makes it easy to set up many types of Gaussian calculations.
3). GaussView lets you examine the results of Gaussian calculations using a variety of graphical techniques.
Training materials offered by Gaussian Educational Website are given below.
Click Here to registration and find more information on workshops.
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