Quantum Chemistry
- Mathematics For Quantum Chemistry
- Review Of Classical Mechanics
- Failures of Classical Mechanics
- Postulates of Quantum Mechanics
- Operators
- Second Quantization
- Hartree-Fock Theory
- Perturbation Theory
- Configuration Interaction
- Coupled-Cluster
- Multi-Reference Theories
- Molecular Integration
- DFT
- TD-DFT
- EPR
- NMR
- UV/VIS
- XAFS
- Mössbauer
Programming Languages
- Basics of Computer Architecture
- AWK
- Bash
- C++
- Perl
- Python
Molecular File Formats
- Introduction
- Simplified Molecular Input Line Entry Specification (SMILES)
- XYZ File Format (XYZ)
- SYBYL MOL2 File Format (MOL2)
- MDL Molfile (MOL)
- MDL Structure Data File (SDF)
- Protein Data Bank File Format (PDB)
- Cyrstallographic Information File (CIF)
-
Babel
- Installation
- Converting File Formats
- Render 3D from 2D
- Geometry Clean-Up