Publications of Markus Schneider

All genres

Journal Article (5)

2024

Journal Article

Hu, Xiaojuan, Kazi S. Amin, Markus Schneider, Carmay Lim, Dennis Salahub and Carsten Baldauf: System-Specific Parameter Optimization for Nonpolarizable and Polarizable Force Fields.

MPG.PuRe

DOI

publisher-version

2018

Journal Article

Klyne, Johanna, Aude Bouchet, Shun-ichi Ishiuchi, Masaaki Fujii, Markus Schneider, Carsten Baldauf and Otto Dopfer: Probing chirality recognition of protonated glutamic acid dimers by gas-phase vibrational spectroscopy and first-principles simulations.

MPG.PuRe

DOI

publisher-version

2017

Journal Article

Schneider, Markus, Chiara Masellis, Thomas Rizzo and Carsten Baldauf: Kinetically Trapped Liquid-State Conformers of a Sodiated Model Peptide Observed in the Gas Phase.

MPG.PuRe

DOI

publisher-version

2016

Journal Article

Marianski, Mateusz, Adriana Supady, Teresa Ingram, Markus Schneider and Carsten Baldauf: Assessing the Accuracy of Across-the-Scale Methods for Predicting Carbohydrate Conformational Energies for the Examples of Glucose and α-Maltose.

MPG.PuRe

DOI

Journal Article

Ropo, Matti, Markus Schneider, Carsten Baldauf and Volker Blum: First-principles data set of 45,892 isolated and cation-coordinated conformers of 20 proteinogenic amino acids.

MPG.PuRe

DOI

publisher-version

Talk (1)

2016

Talk

Schneider, Markus: 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, May 2016).

MPG.PuRe