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Martin Korth
Martin Korth
Professor for Theoretical Chemistry, Ulm University
Verified email at uni-ulm.de - Homepage
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Cited by
Year
A transferable H-bonding correction for semiempirical quantum-chemical methods
M Korth, M Pitonak, J Rezac, P Hobza
Journal of chemical theory and computation 6 (1), 344-352, 2010
3192010
“Mindless” DFT benchmarking
M Korth, S Grimme
Journal of chemical theory and computation 5 (4), 993-1003, 2009
2802009
How to compute isomerization energies of organic molecules with quantum chemical methods
S Grimme, M Steinmetz, M Korth
The Journal of Organic Chemistry 72 (6), 2118-2126, 2007
2772007
Third-generation hydrogen-bonding corrections for semiempirical QM methods and force fields
M Korth
Journal of Chemical Theory and Computation 6 (12), 3808-3816, 2010
2712010
The Importance of Inter‐and Intramolecular van der Waals Interactions in Organic Reactions: the Dimerization of Anthracene Revisited
S Grimme, C Diedrich, M Korth
Angewandte Chemie 118 (4), 641-645, 2006
1682006
Benchmarking semiempirical methods for thermochemistry, kinetics, and noncovalent interactions: OMx methods are almost as accurate and robust as DFT-GGA methods for organic …
M Korth, W Thiel
Journal of chemical theory and computation 7 (9), 2929-2936, 2011
1162011
Large-scale virtual high-throughput screening for the identification of new battery electrolyte solvents: evaluation of electronic structure theory methods
M Korth
Physical Chemistry Chemical Physics 16 (17), 7919-7926, 2014
1062014
Stereoelectronic substituent effects in saturated main group molecules: severe problems of current Kohn− Sham density functional theory
S Grimme, M Steinmetz, M Korth
Journal of Chemical Theory and Computation 3 (1), 42-45, 2007
962007
Toward new solvents for EDLCs: from computational screening to electrochemical validation
C Schütter, T Husch, M Korth, A Balducci
The Journal of Physical Chemistry C 119 (24), 13413-13424, 2015
792015
Enhanced semiempirical QM methods for biomolecular interactions
ND Yilmazer, M Korth
Computational and structural biotechnology journal 13, 169-175, 2015
772015
Impact of Selected LiPF6 Hydrolysis Products on the High Voltage Stability of Lithium-Ion Battery Cells
R Wagner, M Korth, B Streipert, J Kasnatscheew, DR Gallus, S Brox, ...
ACS applied materials & interfaces 8 (45), 30871-30878, 2016
762016
Large-scale virtual high-throughput screening for the identification of new battery electrolyte solvents: computing infrastructure and collective properties
T Husch, ND Yilmazer, A Balducci, M Korth
Physical Chemistry Chemical Physics 17 (5), 3394-3401, 2015
712015
Rational design of new electrolyte materials for electrochemical double layer capacitors
C Schütter, T Husch, V Viswanathan, S Passerini, A Balducci, M Korth
Journal of Power Sources 326, 541-548, 2016
702016
Comparison of molecular mechanics, semi-empirical quantum mechanical, and density functional theory methods for scoring protein–ligand interactions
ND Yilmazer, M Korth
The Journal of Physical Chemistry B 117 (27), 8075-8084, 2013
702013
Counterintuitive role of magnesium salts as effective electrolyte additives for high voltage lithium‐ion batteries
R Wagner, B Streipert, V Kraft, A Reyes Jiménez, S Röser, ...
Advanced materials interfaces 3 (15), 1600096, 2016
682016
Density Functional Theory: Not Quite the Right Answer for the Right Reason Yet.
M Korth
Angewandte Chemie (International ed. in English) 56 (20), 5396-5398, 2017
602017
Toward the exact solution of the electronic Schrödinger equation for noncovalent molecular interactions: worldwide distributed quantum monte carlo calculations
M Korth, A Lüchow, S Grimme
The Journal of Physical Chemistry A 112 (10), 2104-2109, 2008
592008
Charting the known chemical space for non-aqueous lithium–air battery electrolyte solvents
T Husch, M Korth
Physical Chemistry Chemical Physics 17 (35), 22596-22603, 2015
582015
A third-generation dispersion and third-generation hydrogen bonding corrected PM6 method: PM6-D3H+
JC Kromann, AS Christensen, C Steinmann, M Korth, JH Jensen
PeerJ 2, e449, 2014
572014
How to estimate solid-electrolyte-interphase features when screening electrolyte materials
T Husch, M Korth
Physical Chemistry Chemical Physics 17 (35), 22799-22808, 2015
392015
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