Zobrazeno 1 - 10
of 52
pro vyhledávání: '"Martin Korth"'
Autor:
Nusret Duygu Yilmazer, Martin Korth
Publikováno v:
Computational and Structural Biotechnology Journal, Vol 13, Iss C, Pp 169-175 (2015)
Recent successes and failures of the application of ‘enhanced’ semiempirical QM (SQM) methods are reviewed in the light of the benefits and backdraws of adding dispersion (D) and hydrogen-bond (H) correction terms. We find that the accuracy of SQ
Externí odkaz:
https://doaj.org/article/4256186a6a5844b788628155ac6b111e
Publikováno v:
PeerJ, Vol 2, p e449 (2014)
We present new dispersion and hydrogen bond corrections to the PM6 method, PM6-D3H+, and its implementation in the GAMESS program. The method combines the DFT-D3 dispersion correction by Grimme et al. with a modified version of the H+ hydrogen bond c
Externí odkaz:
https://doaj.org/article/e92d9e4a6f1a4c7cb33e9a4e7a8eb270
Autor:
Nusret Duygu Yilmazer, Martin Korth
Publikováno v:
International Journal of Molecular Sciences, Vol 17, Iss 5, p 742 (2016)
We review the first successes and failures of a “new wave” of quantum chemistry-based approaches to the treatment of protein/ligand interactions. These approaches share the use of “enhanced”, dispersion (D), and/or hydrogen-bond (H) corrected
Externí odkaz:
https://doaj.org/article/13bfaabec838417db910411303f3fa5e
Autor:
Annabelle Bertin, Carl Christoph Tzschucke, Andreas Schnepf, Ullrich Jahn, Christine Beemelmanns, Martin Korth, Johanna Heine, Björn Meermann, Erik Strub, Jan Deska
Publikováno v:
Nachrichten aus der Chemie
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::6223d386e5a5c51857c2517f3f8ba372
https://doi.org/10.1002/nadc.20194087996
https://doi.org/10.1002/nadc.20194087996
Publikováno v:
Electrocatalysis. 8:630-636
Proton transfer processes in water are of fundamental importance for, among others, electrochemical proton discharge. Empirical valence bond (EVB) approaches were shown in the past to be a versatile tool for modeling complex phenomena such as proton
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::42d8d3efd43a6a3c67d110a8e5a78150
https://doi.org/10.1007/s12678-017-0396-4
https://doi.org/10.1007/s12678-017-0396-4
Autor:
Dennis Roman Gallus, Martin Winter, Martin Korth, Isidora Cekic-Laskovic, Marius Amereller, Ralf Wagner, Sebastian Brox, Benjamin Streipert, Johannes Kasnatscheew
Publikováno v:
ACS Applied Materials & Interfaces. 8:30871-30878
Diverse LiPF6 hydrolysis products evolve during lithium-ion battery cell operation at elevated operation temperatures and high operation voltages. However, their impact on the formation and stability of the electrode/electrolyte interfaces is not yet
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::e88679fb240474405bf6fec65d9c2054
https://doi.org/10.1021/acsami.6b09164
https://doi.org/10.1021/acsami.6b09164
Autor:
Christoph Schütter, Martin Korth, Andrea Balducci, Stefano Passerini, Tamara Husch, Venkatasubramanian Viswanathan
Publikováno v:
Journal of Power Sources. 326:541-548
The development of new electrolytes is a centerpiece of many strategies to improve electrochemical double layer capacitor (EDLC) devices. We present here a computational screening-based rational design approach to find new electrolyte materials. As a
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::866b29f3aff92e82b002a679ca7421c9
https://doi.org/10.1016/j.jpowsour.2016.06.022
https://doi.org/10.1016/j.jpowsour.2016.06.022
Autor:
Christoph Schütter, Martin Korth, Promit Ray, Sebastian Dohm, Andrea Balducci, Tamara Husch, Kristin A. Persson, Barbara Kirchner
Publikováno v:
JOURNAL OF PHYSICAL CHEMISTRY C, vol 120, iss 23
The Journal of Physical Chemistry C, vol 120, iss 23
Ray, P; Dohm, S; Husch, T; Schuetter, C; Persson, KA; Balducci, A; et al.(2016). Insights into Bulk Electrolyte Effects on the Operative Voltage of Electrochemical Double-Layer Capacitors. JOURNAL OF PHYSICAL CHEMISTRY C, 120(23), 12325-12336. doi: 10.1021/acs.jpcc.6b00891. UC Berkeley: Retrieved from: http://www.escholarship.org/uc/item/0419c6kh
The Journal of Physical Chemistry C, vol 120, iss 23
Ray, P; Dohm, S; Husch, T; Schuetter, C; Persson, KA; Balducci, A; et al.(2016). Insights into Bulk Electrolyte Effects on the Operative Voltage of Electrochemical Double-Layer Capacitors. JOURNAL OF PHYSICAL CHEMISTRY C, 120(23), 12325-12336. doi: 10.1021/acs.jpcc.6b00891. UC Berkeley: Retrieved from: http://www.escholarship.org/uc/item/0419c6kh
Electrochemical double-layer capacitors (EDLCs) are robust, high-power, and fast-charging energy storage devices. Rational design of novel electrolyte materials could further improve the performance of EDLCs. Computational methods offer immense scope
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::a1509f8ba87765503141fbd5e7f1d3a3
https://doi.org/10.1021/acs.jpcc.6b00891
https://doi.org/10.1021/acs.jpcc.6b00891
Autor:
Andreas Schnepf, Holm Petzold, Stefan Nagl, Martin Korth, Ullrich Jahn, Jan Deska, Constantin Czekelius, Annabelle Bertin, Christine Beemelmanns
Publikováno v:
Nachrichten aus der Chemie. 64:394-398
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::775b1661e09ff4eac73e5cfc020f88d5
https://doi.org/10.1002/nadc.20164051807
https://doi.org/10.1002/nadc.20164051807
Autor:
Martin Korth
Publikováno v:
Angewandte Chemie. 129:5482-5484
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::8f67e1a95c5aeeaf230c89681c56a356
https://doi.org/10.1002/ange.201701894
https://doi.org/10.1002/ange.201701894