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The Journal of Physical Chemistry. A|March 24, 2015
Electronic circular dichroism of highly conjugated π-systems: breakdown of the Tamm-Dancoff/configuration interaction singles approximationChristoph Bannwarth, Stefan GrimmeThe Journal of Chemical Physics|February 22, 2023
SQMBox: Interfacing a semiempirical integral library to modular ab initio electronic structure enables new semiempirical methodsChristoph Bannwarth, Todd J MartínezJournal of Chemical Theory and Computation|April 19, 2017
A Robust and Accurate Tight-Binding Quantum Chemical Method for Structures, Vibrational Frequencies, and Noncovalent Interactions of Large Molecular Systems Parametrized for All spd-Block Elements (Z = 1-86)Stefan Grimme, Christoph Bannwarth, Philip ShushkovJournal of the American Chemical Society|August 12, 2017
Biomolecular Structure Information from High-Speed Quantum Mechanical Electronic Spectra CalculationJakob Seibert, Christoph Bannwarth, Stefan GrimmeThe Journal of Chemical Physics|July 24, 2017
Extension of the D3 dispersion coefficient modelEike Caldeweyher, Christoph Bannwarth, Stefan GrimmeJournal of Chemical Theory and Computation|February 12, 2019
GFN2-xTB-An Accurate and Broadly Parametrized Self-Consistent Tight-Binding Quantum Chemical Method with Multipole Electrostatics and Density-Dependent Dispersion ContributionsChristoph Bannwarth, Sebastian Ehlert, Stefan GrimmeChirality|April 14, 2016
Electronic Circular Dichroism of [16]Helicene With Simplified TD-DFT: Beyond the Single Structure ApproachChristoph Bannwarth, Jakob Seibert, Stefan GrimmeThe Journal of Physical Chemistry. A|June 15, 2019
A Simplified Spin-Flip Time-Dependent Density Functional Theory Approach for the Electronic Excitation Spectra of Very Large DiradicalsMarc de Wergifosse, Christoph Bannwarth, Stefan GrimmePhysical Chemistry Chemical Physics : PCCP|May 29, 2015
Free electrons and ionic liquids: study of excited states by means of electron-energy loss spectroscopy and the density functional theory multireference configuration interaction methodKhrystyna Regeta, Christoph Bannwarth, Stefan Grimme, et al.Journal of the American Chemical Society|November 30, 2023
Photoswitchable Quadruple Hydrogen-Bonding MotifBohan Tang, Mike Pauls, Christoph Bannwarth, et al.Pageof 6