{"author":[{"first_name":"Michael","full_name":"Schappals, Michael","last_name":"Schappals"},{"last_name":"Mecklenfeld","full_name":"Mecklenfeld, Andreas","first_name":"Andreas"},{"full_name":"Kröger, Leif","last_name":"Kröger","first_name":"Leif"},{"first_name":"Vitalie","full_name":"Botan, Vitalie","last_name":"Botan"},{"first_name":"Andreas","full_name":"Köster, Andreas","last_name":"Köster"},{"first_name":"Simon","last_name":"Stephan","full_name":"Stephan, Simon"},{"first_name":"Edder J.","last_name":"García","full_name":"García, Edder J."},{"first_name":"Gabor","full_name":"Rutkai, Gabor","last_name":"Rutkai"},{"last_name":"Raabe","full_name":"Raabe, Gabriele","first_name":"Gabriele"},{"first_name":"Peter","last_name":"Klein","full_name":"Klein, Peter"},{"last_name":"Leonhard","full_name":"Leonhard, Kai","first_name":"Kai"},{"first_name":"Colin W.","last_name":"Glass","full_name":"Glass, Colin W."},{"last_name":"Lenhard","full_name":"Lenhard, Johannes","first_name":"Johannes"},{"full_name":"Vrabec, Jadran","last_name":"Vrabec","first_name":"Jadran"},{"last_name":"Hasse","full_name":"Hasse, Hans","first_name":"Hans"}],"status":"public","project":[{"name":"Computing Resources Provided by the Paderborn Center for Parallel Computing","_id":"52"}],"intvolume":"        13","year":"2017","user_id":"40778","citation":{"apa":"Schappals, M., Mecklenfeld, A., Kröger, L., Botan, V., Köster, A., Stephan, S., … Hasse, H. (2017). Round Robin Study: Molecular Simulation of Thermodynamic Properties from Models with Internal Degrees of Freedom. <i>Journal of Chemical Theory and Computation</i>, <i>13</i>(9), 4270–4280. <a href=\"https://doi.org/10.1021/acs.jctc.7b00489\">https://doi.org/10.1021/acs.jctc.7b00489</a>","ama":"Schappals M, Mecklenfeld A, Kröger L, et al. Round Robin Study: Molecular Simulation of Thermodynamic Properties from Models with Internal Degrees of Freedom. <i>Journal of Chemical Theory and Computation</i>. 2017;13(9):4270-4280. doi:<a href=\"https://doi.org/10.1021/acs.jctc.7b00489\">10.1021/acs.jctc.7b00489</a>","mla":"Schappals, Michael, et al. “Round Robin Study: Molecular Simulation of Thermodynamic Properties from Models with Internal Degrees of Freedom.” <i>Journal of Chemical Theory and Computation</i>, vol. 13, no. 9, 2017, pp. 4270–80, doi:<a href=\"https://doi.org/10.1021/acs.jctc.7b00489\">10.1021/acs.jctc.7b00489</a>.","ieee":"M. Schappals <i>et al.</i>, “Round Robin Study: Molecular Simulation of Thermodynamic Properties from Models with Internal Degrees of Freedom,” <i>Journal of Chemical Theory and Computation</i>, vol. 13, no. 9, pp. 4270–4280, 2017.","chicago":"Schappals, Michael, Andreas Mecklenfeld, Leif Kröger, Vitalie Botan, Andreas Köster, Simon Stephan, Edder J. García, et al. “Round Robin Study: Molecular Simulation of Thermodynamic Properties from Models with Internal Degrees of Freedom.” <i>Journal of Chemical Theory and Computation</i> 13, no. 9 (2017): 4270–80. <a href=\"https://doi.org/10.1021/acs.jctc.7b00489\">https://doi.org/10.1021/acs.jctc.7b00489</a>.","short":"M. Schappals, A. Mecklenfeld, L. Kröger, V. Botan, A. Köster, S. Stephan, E.J. García, G. Rutkai, G. Raabe, P. Klein, K. Leonhard, C.W. Glass, J. Lenhard, J. Vrabec, H. Hasse, Journal of Chemical Theory and Computation 13 (2017) 4270–4280.","bibtex":"@article{Schappals_Mecklenfeld_Kröger_Botan_Köster_Stephan_García_Rutkai_Raabe_Klein_et al._2017, title={Round Robin Study: Molecular Simulation of Thermodynamic Properties from Models with Internal Degrees of Freedom}, volume={13}, DOI={<a href=\"https://doi.org/10.1021/acs.jctc.7b00489\">10.1021/acs.jctc.7b00489</a>}, number={9}, journal={Journal of Chemical Theory and Computation}, author={Schappals, Michael and Mecklenfeld, Andreas and Kröger, Leif and Botan, Vitalie and Köster, Andreas and Stephan, Simon and García, Edder J. and Rutkai, Gabor and Raabe, Gabriele and Klein, Peter and et al.}, year={2017}, pages={4270–4280} }"},"date_created":"2019-09-18T08:56:52Z","title":"Round Robin Study: Molecular Simulation of Thermodynamic Properties from Models with Internal Degrees of Freedom","_id":"13279","volume":13,"issue":"9","language":[{"iso":"eng"}],"page":"4270-4280","date_updated":"2022-01-06T06:51:31Z","type":"journal_article","publication":"Journal of Chemical Theory and Computation","doi":"10.1021/acs.jctc.7b00489"}