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2020

Kilaj, Ardita and Gao, Hong and Tahchieva, Diana and Ramakrishnan, Raghunathan and Bachmann, Daniel and Gillingham, Dennis and von Lilienfeld, O. Anatole and Kuepper, Jochen and Willitsch, Stefan. (2020) Quantum-chemistry-aided identification, synthesis and experimental validation of model systems for conformationally controlled reaction studies: separation of the conformers of 2,3-dibromobuta-1,3-diene in the gas phase. Physical Chemistry Chemical Physics, 22 (24). pp. 13431-13439.

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.