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The Journal of Physical Chemistry. B|April 14, 2009
Analysis of secondary structure effects on the IR and Raman spectra of polypeptides in terms of localized vibrationsChristoph R Jacob, Sandra Luber, Markus ReiherThe Journal of Physical Chemistry Letters|April 23, 2026
Neural Quantum States Based on Selected ConfigurationsMarco Julian Solanki, Lexin Ding, Markus ReiherACS Central Science|March 14, 2018
The Matter Simulation (R)evolutionAlán Aspuru-Guzik, Roland Lindh, Markus ReiherChemphyschem : a European Journal of Chemical Physics and Physical Chemistry|March 26, 2011
Identifying protein β-turns with vibrational Raman optical activityThomas Weymuth, Christoph R Jacob, Markus ReiherFaraday Discussions|February 17, 2011
An enquiry into theoretical bioinorganic chemistry: how heuristic is the character of present-day quantum chemical methods?Maren Podewitz, Martin T Stiebritz, Markus ReiherInorganic Chemistry|December 21, 2005
Theoretical study of catalytic dinitrogen reduction under mild conditionsMarkus Reiher, Boris Le Guennic, Barbara KirchnerJournal of Chemical Theory and Computation|November 26, 2015
Can DFT Accurately Predict Spin Densities? Analysis of Discrepancies in Iron Nitrosyl ComplexesKatharina Boguslawski, Christoph R Jacob, Markus ReiherThe Journal of Physical Chemistry. B|July 30, 2010
A local-mode model for understanding the dependence of the extended amide III vibrations on protein secondary structureThomas Weymuth, Christoph R Jacob, Markus ReiherThe Journal of Chemical Physics|June 4, 2020
Nuclear-electronic all-particle density matrix renormalization groupAndrea Muolo, Alberto Baiardi, Robin Feldmann, et al.Journal of Chemical Theory and Computation|August 4, 2022
Chemoton 2.0: Autonomous Exploration of Chemical Reaction NetworksJan P Unsleber, Stephanie A Grimmel, Markus ReiherPageof 26