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Items where Author is "Dral, Pavlo O."

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Number of items: 3.

2015

Ramakrishnan, Raghunathan and Dral, Pavlo O. and Rupp, Matthias and von Lilienfeld, O. Anatole. (2015) Big Data Meets Quantum Chemistry Approximations: The Δ-Machine Learning Approach. Journal of Chemical Theory and Computation, 11 (5). pp. 2087-2096.

Dral, Pavlo O. and von Lilienfeld, O. Anatole and Thiel, Walter. (2015) Machine Learning of Parameters for Accurate Semiempirical Quantum Chemical Calculations. Journal of Chemical Theory and Computation, 11 (5). pp. 2120-2125.

2014

Ramakrishnan, Raghunathan and Dral, Pavlo O. and Rupp, Matthias and von Lilienfeld, O. Anatole. (2014) Quantum chemistry structures and properties of 134 kilo molecules. Scientific data, 1. p. 140022.

This list was generated on Tue Dec 10 23:27:13 2019 CET.