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Prediction Through Quantum Dynamics Simulations: Photo-excited Cyclobutanone
Datasets contain the input and output files for the Quantics program to run MCTDH and DD-vMCG calculations on cyclobutanone. There are various directories containing the... -
Modelling Photodissociation: Quantum Dynamics Simulations of Methanol
Data supporting the calculations in the paper. These include the input and output and database files for the Quantics program to run DD-vMCG simulations of the photodissociation...
