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Items where contributor is "Ramakrishnan, Raghunathan"

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2018

Tahchieva, D. and Bakowies, D. and Ramakrishnan, R. and von Lilienfeld, O. A.. (2018) Torsional potentials of glyoxal, oxalyl halides and their thiocarbonyl derivatives: Challenges for DFT. Journal of chemical theory and computation. pp. 1-11.

Kranz, Julian J. and Kubillus, Maximilian and Ramakrishnan, Raghunathan and von Lilienfeld, O. Anatole and Elstner, Marcus. (2018) Generalized Density-Functional Tight-Binding Repulsive Potentials from Unsupervised Machine Learning. Journal of Chemical Theory and Computation, 14 (5). 2341-2352 .