المؤلفون: Fechner, Uli, de Graaf, Chris, Torda, Andrew E, Güssregen, Stefan, Evers, Andreas, Matter, Hans, Hessler, Gerhard, Richmond, Nicola J, Schmidtke, Peter, Segler, Marwin HS, Waller, Mark P, Pleik, Stefanie, Shea, Joan-Emma, Levine, Zachary, Mullen, Ryan, van den Broek, Karina, Epple, Matthias, Kuhn, Hubert, Truszkowski, Andreas, Zielesny, Achim, Fraaije, Johannes Hans, Gracia, Ruben Serral, Kast, Stefan M, Bulusu, Krishna C, Bender, Andreas, Yosipof, Abraham, Nahum, Oren, Senderowitz, Hanoch, Krotzky, Timo, Schulz, Robert, Wolber, Gerhard, Bietz, Stefan, Rarey, Matthias, Zimmermann, Markus O, Lange, Andreas, Ruff, Manuel, Heidrich, Johannes, Onlia, Ionut, Exner, Thomas E, Boeckler, Frank M, Bermudez, Marcel, Firaha, Dzmitry S, Hollóczki, Oldamur, Kirchner, Barbara, Tautermann, Christofer S, Volkamer, Andrea, Eid, Sameh, Turk, Samo, Rippmann, Friedrich, Fulle, Simone, Saleh, Noureldin, Saladino, Giorgio, Gervasio, Francesco L, Haensele, Elke, Banting, Lee, Whitley, David C, Oliveira Santos, Jana Sopkova-de, Bureau, Ronan, Clark, Timothy, Sandmann, Achim, Lanig, Harald, Kibies, Patrick, Heil, Jochen, Hoffgaard, Franziska, Frach, Roland, Engel, Julian, Smith, Steven, Basu, Debjit, Rauh, Daniel, Kohlbacher, Oliver, Essex, Jonathan W, Bodnarchuk, Michael S, Ross, Gregory A, Finkelmann, Arndt R, Göller, Andreas H, Schneider, Gisbert, Husch, Tamara, Schütter, Christoph, Balducci, Andrea, Korth, Martin, Ntie-Kang, Fidele, Günther, Stefan, Sippl, Wolfgang, Mbaze, Luc Meva'a, Simoben, Conrad V, Lifongo, Lydia L, Judson, Philip, Barilla, Jiří, Lokajíček, Miloš V, Pisaková, Hana, Simr, Pavel, Kireeva, Natalia, Petrov, Alexandre, Ostroumov, Denis, Solovev, Vitaly P, Pervov, Vladislav S, Friedrich, Nils-Ole

المصدر: Journal of cheminformatics. 8(Suppl 1)

مصطلحات موضوعية: Macromolecular and Materials Chemistry

وصف الملف: application/pdf

الوصول الحر: https://escholarship.org/uc/item/74n2c717Test

المؤلفون: Frach, Roland, Kibies, Patrick, Böttcher, Saraphina, Pongratz, Tim, Strohfeldt, Steven, Kurrmann, Simon, Koehler, Joerg, Hofmann, Martin, Kremer, Werner, Kalbitzer, Hans Robert, Reiser, Oliver, Horinek, Dominik, Kast, Stefan M.

المصدر: Angewandte Chemie International Edition ; volume 55, issue 39, page 11713-11713 ; ISSN 1433-7851 1521-3773

الإتاحة: https://doi.org/10.1002/anie.201607626Test

المؤلفون: Frach, Roland, Kibies, Patrick, Böttcher, Saraphina, Pongratz, Tim, Strohfeldt, Steven, Kurrmann, Simon, Koehler, Joerg, Hofmann, Martin, Kremer, Werner, Kalbitzer, Hans Robert, Reiser, Oliver, Horinek, Dominik, Kast, Stefan M.

المصدر: Angewandte Chemie ; volume 128, issue 39, page 11887-11887 ; ISSN 0044-8249 1521-3757

الإتاحة: https://doi.org/10.1002/ange.201607626Test

المؤلفون: Pongratz, Tim, Kibies, Patrick, Eberlein, Lukas, Tielker, Nicolas, Hölzl, Christoph, Imoto, Sho, Beck Erlach, Markus, Kurrmann, Simon, Schummel, Paul Hendrik, Hofmann, Martin, Reiser, Oliver, Winter, Roland, Kremer, Werner, Kalbitzer, Hans Robert, Marx, Dominik, Horinek, Dominik, Kast, Stefan M.

مصطلحات موضوعية: 540 Chemie, ddc:540, 570 Biowissenschaften, Biologie, ddc:570

العلاقة: Pongratz, Tim, Kibies, Patrick, Eberlein, Lukas, Tielker, Nicolas, Hölzl, Christoph, Imoto, Sho, Beck Erlach, Markus, Kurrmann, Simon, Schummel, Paul Hendrik, Hofmann, Martin, Reiser, Oliver , Winter, Roland, Kremer, Werner, Kalbitzer, Hans Robert, Marx, Dominik, Horinek, Dominik und Kast, Stefan M. (2020) Pressure-dependent electronic structure calculations using integral equation-based solvation models. Biophysical Chemistry 257, S. 106258.

الإتاحة: https://doi.org/10.1016/j.bpc.2019.106258Test
https://epub.uni-regensburg.de/50380Test/

المؤلفون: Hölzl, Christoph, Kibies, Patrick, Imoto, Sho, Noetzel, Jan, Knierbein, Michael, Salmen, Paul, Paulus, Michael, Nase, Julia, Held, Christoph, Sadowski, Gabriele, Marx, Dominik, Kast, Stefan M., Horinek, Dominik

مصطلحات موضوعية: 540 Chemie, ddc:540

العلاقة: Hölzl, Christoph, Kibies, Patrick, Imoto, Sho, Noetzel, Jan, Knierbein, Michael, Salmen, Paul, Paulus, Michael, Nase, Julia, Held, Christoph, Sadowski, Gabriele, Marx, Dominik, Kast, Stefan M. und Horinek, Dominik (2019) Structure and thermodynamics of aqueous urea solutions from ambient to kilobar pressures: From thermodynamic modeling, experiments, and first principles simulations to an accurate force field description. Biophysical Chemistry 254, S. 106260.

الإتاحة: https://doi.org/10.1016/j.bpc.2019.106260Test
https://epub.uni-regensburg.de/48069Test/

المؤلفون: Kibies, Patrick Jascha

المساهمون: Kast, Stefan M., Winter, Roland

مصطلحات موضوعية: Dipole moment, RISM, EC-RISM, Hochdruckchemie, Semi-empirical, Reference Interaction Site Model, Trimethylamine-N-oxide, TMAO, Force field development, Autoionization, High pressure, Osmolytes, Electrostatics, Quantenchemie, hpCADD, Cosolvents, Urea, Autoprotolysis of water, Quantum chemistry, High pressure spectroscopy, Piezolytes

وصف الملف: application/pdf

الوصول الحر: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::ab675fc0c772b688903c8b321d76e7e7Test
http://hdl.handle.net/2003/38208Test

المؤلفون: Hölzl, Christoph¹, Kibies, Patrick², Sho Imoto³ sho.imoto@theochem.rub.de, Frach, Roland², Suladze, Saba⁴, Winter, Roland⁴, Marx, Dominik³, Horinek, Dominik¹ dominik.horinek@ur.de, Kast, Stefan M.² stefan.kast@tu-dortmund.de

المصدر: Journal of Chemical Physics. 2016, Vol. 144 Issue 14, p1-16. 16p. 1 Diagram, 5 Charts, 7 Graphs.

مصطلحات موضوعية: *HIGH pressure (Technology), *MOLECULAR force constants, *TRIMETHYLAMINE oxide, *MOLECULAR dynamics, *THERMODYNAMIC state variables, *QUANTUM chemistry

المؤلفون: Thomas, Heike B., Hennemann, Matthias, Kibies, Patrick, Hoffgaard, Franziska, Güssregen, Stefan, Hessler, Gerhard, Kast, Stefan M., Clark, Timothy

المساهمون: Bundesministerium f?r Bildung und Forschung

المصدر: Journal of Chemical Information and Modeling ; volume 57, issue 8, page 1907-1922 ; ISSN 1549-9596 1549-960X

الإتاحة: https://doi.org/10.1021/acs.jcim.7b00080Test

المؤلفون: Frach, Roland, Kibies, Patrick, Böttcher, Saraphina, Pongratz, Tim, Strohfeldt, Steven, Kurrmann, Simon, Koehler, Joerg, Hofmann, Martin, Kremer, Werner, Kalbitzer, Hans Robert, Reiser, Oliver, Horinek, Dominik, Kast, Stefan M.

مصطلحات موضوعية: 530 Physik, ddc:530, 540 Chemie, ddc:540, 570 Biowissenschaften, Biologie, ddc:570

العلاقة: Frach, Roland, Kibies, Patrick, Böttcher, Saraphina, Pongratz, Tim, Strohfeldt, Steven, Kurrmann, Simon, Koehler, Joerg, Hofmann, Martin, Kremer, Werner, Kalbitzer, Hans Robert, Reiser, Oliver , Horinek, Dominik und Kast, Stefan M. (2016) The Chemical Shift Baseline for High-Pressure NMR Spectra of Proteins. Angewandte Chemie International Edition 55 (30), S. 8757-8760.

الإتاحة: https://doi.org/10.1002/anie.201602054Test
https://epub.uni-regensburg.de/42608Test/

المؤلفون: Imoto, Sho, Kibies, Patrick, Rosin, Christopher, Winter, Roland, Kast, Stefan M., Marx, Dominik

المساهمون: DFG

المصدر: Angewandte Chemie International Edition ; volume 55, issue 33, page 9534-9538 ; ISSN 1433-7851 1521-3773

الإتاحة: https://doi.org/10.1002/anie.201602757Test