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The Journal of Chemical Physics|December 22, 2022
Convergence of series expansions in rovibrational configuration interaction (RVCI) calculationsMartin Tschöpe, Guntram Rauhut
The Journal of Chemical Physics|July 3, 2020
Toward a fully automated calculation of rovibrational infrared intensities for semi-rigid polyatomic moleculesSebastian Erfort, Martin Tschöpe, Guntram Rauhut
The Journal of Chemical Physics|April 2, 2022
Efficient and automated quantum chemical calculation of rovibrational nonresonant Raman spectraSebastian Erfort, Martin Tschöpe, Guntram Rauhut
Frontiers in Chemistry|February 15, 2021
High-Level Rovibrational Calculations on KetenimineMartin Tschöpe, Benjamin Schröder, Sebastian Erfort, et al.
Physical Review. E|March 15, 2020
Neural network approach for the dynamics on the normally hyperbolic invariant manifold of periodically driven systemsMartin Tschöpe, Matthias Feldmaier, Jörg Main, et al.
The Journal of Chemical Physics|May 10, 2020
Ab initio calculation of rovibrational states for non-degenerate double-well potentials: cis-trans isomerization of HOPOSebastian Erfort, Martin Tschöpe, Guntram Rauhut, et al.
The Journal of Chemical Physics|October 22, 2022
Determination of spectroscopic constants from rovibrational configuration interaction calculationsDennis F Dinu, Martin Tschöpe, Benjamin Schröder, et al.
The Journal of Physical Chemistry. B|February 8, 2019
Invariant Manifolds and Rate Constants in Driven Chemical ReactionsMatthias Feldmaier, Philippe Schraft, Robin Bardakcioglu, et al.
Nano Letters|June 27, 2012
Atomic force microscopy with nanoscale cantilevers resolves different structural conformations of the DNA double helixCarl Leung, Aizhan Bestembayeva, Richard Thorogate, et al.
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