@article{13232, author = {{Kaliannan, Naveen Kumar and Henao Aristizabal, Andres and Wiebeler, Hendrik and Zysk, Frederik and Ohto, Tatsuhiko and Nagata, Yuki and D. Kühne, Thomas}}, journal = {{Molecular Physics}}, pages = {{1--10}}, publisher = {{Taylor & Francis}}, title = {{{Impact of intermolecular vibrational coupling effects on the sum-frequency generation spectra of the water/air interface}}}, doi = {{10.1080/00268976.2019.1620358}}, year = {{2019}}, } @article{13233, author = {{Müller, Patrick and Neuba, Adam and Flörke, Ulrich and Henkel, Gerald and Kühne, Thomas D. and Bauer, Matthias}}, journal = {{The Journal of Physical Chemistry A}}, number = {{16}}, pages = {{3575--3581}}, title = {{{Experimental and Theoretical High Energy Resolution Hard X-ray Absorption and Emission Spectroscopy on Biomimetic Cu2S2 Complexes}}}, doi = {{10.1021/acs.jpca.9b00463}}, volume = {{123}}, year = {{2019}}, } @article{13236, abstract = {{Thermal treatment of hexaazatriphenylene-hexacarbonitrile (HAT-CN) in the temperature range from 500 °C to 700 °C leads to precise control over the degree of condensation{,} and thus atomic construction and porosity of the resulting C2N-type materials. Depending on the condensation temperature of HAT-CN{,} nitrogen contents of more than 30 at% can be reached. In general{,} these carbons show adsorption properties which are comparable to those known for zeolites but their pore size can be adjusted over a wider range. At condensation temperatures of 525 °C and below{,} the uptake of nitrogen gas remains negligible due to size exclusion{,} but the internal pores are large and polarizing enough that CO2 can still adsorb on part of the internal surface. This leads to surprisingly high CO2 adsorption capacities and isosteric heat of adsorption of up to 52 kJ mol−1. Theoretical calculations show that this high binding enthalpy arises from collective stabilization effects from the nitrogen atoms in the C2N layers surrounding the carbon atom in the CO2 molecule and from the electron acceptor properties of the carbon atoms from C2N which are in close proximity to the oxygen atoms in CO2. A true CO2 molecular sieving effect is achieved for the first time in such a metal-free organic material with zeolite-like properties{,} showing an IAST CO2/N2 selectivity of up to 121 at 298 K and a N2/CO2 ratio of 90/10 without notable changes in the CO2 adsorption properities over 80 cycles.}}, author = {{Walczak, Ralf and Savateev, Aleksandr and Heske, Julian Joachim and Tarakina, Nadezda V. and Sahoo, Sudhir and Epping, Jan D. and Kühne, Thomas and Kurpil, Bogdan and Antonietti, Markus and Oschatz, Martin}}, journal = {{Sustainable Energy Fuels}}, pages = {{--}}, publisher = {{The Royal Society of Chemistry}}, title = {{{Controlling the strength of interaction between carbon dioxide and nitrogen-rich carbon materials by molecular design}}}, doi = {{10.1039/C9SE00486F}}, year = {{2019}}, } @article{13237, author = {{Elgabarty, Hossam and Kaliannan, Naveen Kumar and Kühne, Thomas D.}}, journal = {{Scientific Reports}}, pages = {{10002}}, title = {{{Enhancement of the asymmetry in the hydrogen bond network of liquid water by an ultrafast electric field pulse}}}, doi = {{10.1038/s41598-019-46449-5}}, volume = {{ 9}}, year = {{2019}}, } @article{13247, author = {{Tanaka, Shunji and Tierney, Kevin and Parreño-Torres, Consuelo and Alvarez-Valdes, Ramon and Ruiz, Rubén}}, issn = {{0377-2217}}, journal = {{European Journal of Operational Research}}, pages = {{211--225}}, title = {{{A Branch and Bound Approach for Large Pre-Marshalling Problems}}}, doi = {{10.1016/j.ejor.2019.04.005}}, year = {{2019}}, } @inproceedings{13250, author = {{Ansótegui, Carlos and Heymann, Britta and Pon, Josep and Sellmann, Meinolf and Tierney, Kevin}}, booktitle = {{Learning and Intelligent Optimization}}, isbn = {{978-3-030-05347-5}}, pages = {{309--325}}, publisher = {{Springer International Publishing}}, title = {{{Hyper-Reactive Tabu Search for MaxSAT}}}, doi = {{10.1007/978-3-030-05348-2_27}}, year = {{2019}}, } @inproceedings{13261, author = {{Wolters, Dennis and Kirchhoff, Jonas and Engels, Gregor}}, booktitle = {{Service-Oriented Computing – ICSOC 2019 Workshops}}, editor = {{Yangui, Sami and Bouguettaya, Athman and Xue, Xiao and Faci, Noura and Gaaloul, Walid and Yu, Qi and Zhou, Zhangbing and Hernandez, Nathalie and Nakagawa, Elisa Y.}}, pages = {{30--41}}, publisher = {{Springer}}, title = {{{Specifying Web Interfaces for Command-line Applications Based on OpenAPI}}}, doi = {{10.1007/978-3-030-45989-5\_3}}, volume = {{12019}}, year = {{2019}}, } @article{13270, author = {{Guevara-Carrion, Gabriela and Ancherbak, Sergiy and Mialdun, Aliaksandr and Vrabec, Jadran and Shevtsova, Valentina}}, issn = {{2045-2322}}, journal = {{Scientific Reports}}, title = {{{Diffusion of Methane in Supercritical Carbon Dioxide Across the Widom Line}}}, doi = {{10.1038/s41598-019-44687-1}}, volume = {{9}}, year = {{2019}}, } @inproceedings{13271, abstract = {{Automatic meeting analysis comprises the tasks of speaker counting, speaker diarization, and the separation of overlapped speech, followed by automatic speech recognition. This all has to be carried out on arbitrarily long sessions and, ideally, in an online or block-online manner. While significant progress has been made on individual tasks, this paper presents for the first time an all-neural approach to simultaneous speaker counting, diarization and source separation. The NN-based estimator operates in a block-online fashion and tracks speakers even if they remain silent for a number of time blocks, thus learning a stable output order for the separated sources. The neural network is recurrent over time as well as over the number of sources. The simulation experiments show that state of the art separation performance is achieved, while at the same time delivering good diarization and source counting results. It even generalizes well to an unseen large number of blocks.}}, author = {{von Neumann, Thilo and Kinoshita, Keisuke and Delcroix, Marc and Araki, Shoko and Nakatani, Tomohiro and Haeb-Umbach, Reinhold}}, booktitle = {{ICASSP 2019, Brighton, UK}}, title = {{{All-neural Online Source Separation, Counting, and Diarization for Meeting Analysis}}}, year = {{2019}}, } @article{13273, author = {{Chatwell, René Spencer and Heinen, Matthias and Vrabec, Jadran}}, issn = {{0017-9310}}, journal = {{International Journal of Heat and Mass Transfer}}, pages = {{1296--1305}}, title = {{{Diffusion Limited Evaporation of a Binary Liquid Film}}}, doi = {{10.1016/j.ijheatmasstransfer.2018.12.030}}, volume = {{132}}, year = {{2019}}, }