Showing results (1-10 of 10) with videos related to

Sort By:
Pageof 1
The Journal of Organic Chemistry|October 6, 2021
Automated Quantum Chemistry-Based Calculation of Optical Rotation for Large Flexible MoleculesFabian Bohle, Jakob Seibert, Stefan Grimme
Chirality|April 14, 2016
Electronic Circular Dichroism of [16]Helicene With Simplified TD-DFT: Beyond the Single Structure ApproachChristoph Bannwarth, Jakob Seibert, Stefan Grimme
Journal of the American Chemical Society|August 12, 2017
Biomolecular Structure Information from High-Speed Quantum Mechanical Electronic Spectra CalculationJakob Seibert, Christoph Bannwarth, Stefan Grimme
The Journal of Chemical Physics|September 3, 2020
Simplified time-dependent density functional theory (sTD-DFT) for molecular optical rotationMarc de Wergifosse, Jakob Seibert, Stefan Grimme
The Journal of Physical Chemistry. B|March 10, 2020
Dynamic Structural Effects on the Second-Harmonic Generation of Tryptophane-Rich Peptides and Gramicidin AJakob Seibert, Benoît Champagne, Stefan Grimme, et al.
The Journal of Physical Chemistry. A|October 22, 2019
Are Fully Conjugated Expanded Indenofluorenes Analogues and Diindeno[<i>n</i>]thiophene Derivatives Diradicals? A Simplified (Spin-Flip) Time-Dependent Density Functional Theory [(SF-)sTD-DFT] StudyMarc de Wergifosse, Jakob Seibert, Benoît Champagne, et al.
The Journal of Physical Chemistry. B|April 11, 2020
Quantum Chemical Calculation of Molecular and Periodic Peptide and Protein StructuresSarah Schmitz, Jakob Seibert, Katja Ostermeir, et al.
Angewandte Chemie (International Ed. in English)|September 15, 2017
Fully Automated Quantum-Chemistry-Based Computation of Spin-Spin-Coupled Nuclear Magnetic Resonance SpectraStefan Grimme, Christoph Bannwarth, Sebastian Dohm, et al.
Chemistry (Weinheim an Der Bergstrasse, Germany)|October 15, 2020
Sensory Perception of Non-Deuterated and Deuterated Organic CompoundsTunga Salthammer, Friederike Monegel, Nicole Schulz, et al.
Journal of the American Chemical Society|August 9, 2019
Isolation and Computational Studies of a Series of Terphenyl Substituted Diplumbynes with Ligand Dependent Lead-Lead Multiple-Bonding CharacterJoshua D Queen, Markus Bursch, Jakob Seibert, et al.
Pageof 1