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2019 Journal Article Solid oganesson via a many-body interaction expansion based on relativistic coupled-cluster theory and from plane-wave relativistic density functional theoryJerabek, Paul, Smits, Odile R., Mewes, Jan-Michael, Peterson, Kirk A. and Schwerdtfeger, Peter (2019). Solid oganesson via a many-body interaction expansion based on relativistic coupled-cluster theory and from plane-wave relativistic density functional theory. The Journal of Physical Chemistry Part A: Molecules, Spectroscopy, Kinetics, Environment and General Theory, 123 (19), 4201-4211. doi: 10.1021/acs.jpca.9b01947 |
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2018 Journal Article Ein hundert Jahre altes Experiment auf dem Prüfstand: hochgenaue Ab‐Initio‐Monte‐Carlo‐Schmelzsimulationen von RadonSmits, Odile R., Jerabek, Paul, Pahl, Elke and Schwerdtfeger, Peter (2018). Ein hundert Jahre altes Experiment auf dem Prüfstand: hochgenaue Ab‐Initio‐Monte‐Carlo‐Schmelzsimulationen von Radon. Angewandte Chemie, 130 (31), 10109-10113. doi: 10.1002/ange.201803353 |
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2018 Journal Article A Hundred‐Year‐Old Experiment Re‐evaluated: Accurate Ab Initio Monte Carlo Simulations of the Melting of RadonSmits, Odile R., Jerabek, Paul, Pahl, Elke and Schwerdtfeger, Peter (2018). A Hundred‐Year‐Old Experiment Re‐evaluated: Accurate Ab Initio Monte Carlo Simulations of the Melting of Radon. Angewandte Chemie International Edition, 57 (31), 9961-9964. doi: 10.1002/anie.201803353 |
