lattice

URL: http://data.bris.ac.uk/datasets/2elwx7gwh5of1cean5iht89cm/Calculations/full_reaction_coordinate_PBE/rc-0.2/lattice

From the dataset abstract

Projector-based embedding has recently emerged as a robust and accurate method for the calculation of various electronic molecular properties. We present the coupling of projector...

Source: A projector embedding approach for multiscale coupled-cluster calculations applied to citrate synthase./Calculations/full_reaction_coordinate_PBE/rc-0.2

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Data last updated October 3, 2016
Metadata last updated October 3, 2016
Created October 3, 2016
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License Non-Commercial Government Licence for public sector information
createdover 7 years ago
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