Page Index - zadorlab/KinBot GitHub Wiki

42 page(s) in this GitHub Wiki:

• Home
• KinBot User Documentation
• Computational Environment
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• Conformational Search
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• General
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• Input and Keywords
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• KinBot file structure
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• Master Equation Calculations
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• Modes of Running: Kinbot and pes
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• Output
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• Overview
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• Quantum Chemistry
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• Reactant
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• Reaction Types
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• Reference
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• Request Actions
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• Restarting KinBot or pes
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• Running KinBot
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• Setting Up KinBot on Your System
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• The no kinbot mode
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• Uncertainty Quantification
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• Variable reaction coordinate transition state theory (VRC‐TST) calculations
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