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Tutorial in CompChem by Rangsiman Ketkaew
Home
Intro
Lesson 1
Create Molecule
Optimization
Input Preparation
Gaussian's output
Lesson 2
BSSE
Molecular Properties
Tutorial 1
Optimising molecule
Output analysis
Tutorial 2
Using Basis set
Using pseudo-potentials
Using mixture of basis set and pseudo-potentials
Tutorial 3
Frequency Analysis
Vibrational Analysis
Molecular Orbitals
Natural Orbital Analysis
Tutorial 4
Association Energy
Accuracy
Tutorial in CompChem by Rangsiman Ketkaew
Home
Intro
Lesson 1
Create Molecule
Optimization
Input Preparation
Gaussian's output
Lesson 2
BSSE
Molecular Properties
Tutorial 1
Optimising molecule
Output analysis
Tutorial 2
Using Basis set
Using pseudo-potentials
Using mixture of basis set and pseudo-potentials
Tutorial 3
Frequency Analysis
Vibrational Analysis
Molecular Orbitals
Natural Orbital Analysis
Tutorial 4
Association Energy
Accuracy
More
Home
Intro
Lesson 1
Create Molecule
Optimization
Input Preparation
Gaussian's output
Lesson 2
BSSE
Molecular Properties
Tutorial 1
Optimising molecule
Output analysis
Tutorial 2
Using Basis set
Using pseudo-potentials
Using mixture of basis set and pseudo-potentials
Tutorial 3
Frequency Analysis
Vibrational Analysis
Molecular Orbitals
Natural Orbital Analysis
Tutorial 4
Association Energy
Accuracy
Natural Bond Orbital Analysis
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