Publikationen von Markus Schneider
Alle Typen
Zeitschriftenartikel (5)
1.
Zeitschriftenartikel
20 (3), S. 1448 - 1464 (2024)
System-Specific Parameter Optimization for Nonpolarizable and Polarizable Force Fields. Journal of Chemical Theory and Computation 2.
Zeitschriftenartikel
20 (45), S. 28452 - 28464 (2018)
Probing chirality recognition of protonated glutamic acid dimers by gas-phase vibrational spectroscopy and first-principles simulations. Physical Chemistry Chemical Physics 3.
Zeitschriftenartikel
121 (36), S. 6838 - 6844 (2017)
Kinetically Trapped Liquid-State Conformers of a Sodiated Model Peptide Observed in the Gas Phase. The Journal of Physical Chemistry A 4.
Zeitschriftenartikel
12 (12), S. 6157 - 6168 (2016)
Assessing the Accuracy of Across-the-Scale Methods for Predicting Carbohydrate Conformational Energies for the Examples of Glucose and α-Maltose. Journal of Chemical Theory and Computation 5.
Zeitschriftenartikel
3, 160009 (2016)
First-principles data set of 45,892 isolated and cation-coordinated conformers of 20 proteinogenic amino acids. Scientific Data Vortrag (1)
6.
Vortrag
Wavefunction Methods and Benchmark Data Sets for Molecules. Hands-on workshop and Humboldt-Kolleg: Density-Functional Theory and Beyond - Basic Principles and Modern Insights, Isfahan, Iran (2016)