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ORCA 6.1 Manual

Preface

ORCA 6.1 Foreword
ORCA 6.1 Highlights
How to cite
How to use this manual

Main Part

1. Quickstart Guide
2. Essential Calculation Elements
3. Model Chemistries
4. Structure and Reactivity
5. Spectroscopy and Properties
6. Multiscale Simulations
7. Molecular Dynamics
- 7.1. Ab initio Molecular Dynamics
8. Workflows and Automatization
9. Utilities and Visualization
10. Architecture of ORCA

Appendix

1. Detailed change log
2. Publications Related to ORCA
3. Glossary

Bibliography & Index

Bibliography
Index

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