Christoph Bannwarth
机构: Institute of Physical Chemistry; RWTH Aachen University
主页: rwth-aachen.de
每年引用次数
引用次数
引用: 11,884
H-指数: 32
I10-指数 : 48
出版物: 64
Development and Application of Efficient Methods for the Computation of Electronic Spectra of Large Systems
Christoph Nils Bannwarth
Universitäts-und Landesbibliothek Bonn
2018
Recent research directions in Fribourg: nuclear dynamics in resonances revealed by 2-dimensional EEL spectra, electron collisions with ionic liquids and electronic excitation of pyrimidine
Michael Allan , Khrystyna Regeta , Jimena D. Gorfinkiel , Zdeněk Mašín
The European Physical Journal D 70 ( 5) 123
7
2016
The Association of Two “Frustrated” Lewis Pairs by State-of-the-Art Quantum Chemical Methods
Christoph Bannwarth , Andreas Hansen , Stefan Grimme
Israel Journal of Chemistry 55 ( 2) 235 -242
16
2015
Biomolecular Structure Information from High-Speed Quantum Mechanical Electronic Spectra Calculation
Jakob Seibert , Christoph Bannwarth , Stefan Grimme
Journal of the American Chemical Society 139 ( 34) 11682 -11685
30
2017
Hole-hole Tamm-Dancoff-approximated density functional theory: A highly efficient electronic structure method incorporating dynamic and static correlation.
Christoph Bannwarth , Jimmy K. Yu , Edward G. Hohenstein , Todd J. Martínez
Journal of Chemical Physics 153 ( 2) 024110
27
2020
TeraChem: Accelerating electronic structure and ab initio molecular dynamics with graphical processing units.
Stefan Seritan , Christoph Bannwarth , B. Scott Fales , Edward G. Hohenstein
Journal of Chemical Physics 152 ( 22) 224110
78
2020
Dispersion-Corrected Mean-Field Electronic Structure Methods.
Stefan Grimme , Andreas Hansen , Jan Gerit Brandenburg , Christoph Bannwarth
Chemical Reviews 116 ( 9) 5105 -5154
1,012
2016
Effect of Conjugation Pathway in Metal-Free Room-Temperature Dual Singlet–Triplet Emitters for Organic Light-Emitting Diodes
Wolfram Ratzke , Lisa Schmitt , Hideto Matsuoka , Christoph Bannwarth
Journal of Physical Chemistry Letters 7 ( 22) 4802 -4808
49
2016
Extension of the element parameter set for ultra-fast excitation spectra calculation (sTDA-xTB)
Jakob Seibert , Jana Pisarek , Sarah Schmitz , Christoph Bannwarth
Molecular Physics 117 1104 -1116
2
2019
From attraction to repulsion: anion–π interactions between bromide and fluorinated phenyl groups
Michael Giese , Markus Albrecht , Christoph Bannwarth , Gerhard Raabe
Chemical Communications 47 ( 30) 8542 -8544
36
2011
Ab Initio Nonadiabatic Molecular Dynamics with Hole–Hole Tamm–Dancoff Approximated Density Functional Theory
Jimmy K. Yu , Christoph Bannwarth , Edward G. Hohenstein , Todd J. Martínez
Journal of Chemical Theory and Computation 16 ( 9) 5499 -5511
3
2020
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 Shushkov
Journal of Chemical Theory and Computation 13 ( 5) 1989 -2009
938
2017
Synthesis, Chiral Resolution, and Absolute Configuration of Functionalized Tröger’s Base Derivatives: Part III
Arne Lützen , Andreas Jarzebski , Christoph Bannwarth , Christina Tenten
Synthesis 47 ( 20) 3118 -3132
9
2015
Ultra-fast computation of electronic spectra for large systems by tight-binding based simplified Tamm-Dancoff approximation (sTDA-xTB).
Stefan Grimme , Christoph Bannwarth
Journal of Chemical Physics 145 ( 5) 054103 -054103
57
2016
Indirect synthesis of a pair of formal methane activation products at a phosphane/borane frustrated Lewis pair
Silke Frömel , Constantin G. Daniliuc , Christoph Bannwarth , Stefan Grimme
Dalton Transactions 45 ( 48) 19230 -19233
6
2016
Extension of the D3 dispersion coefficient model
Eike Caldeweyher , Christoph Bannwarth , Stefan Grimme
Journal of Chemical Physics 147 ( 3) 034112
487
2017
Benzimidazolylquinoxalines: novel fluorophores with tuneable sensitivity to solvent effects.
Timur I. Burganov , Nataliya A. Zhukova , Vakhid A. Mamedov , Christoph Bannwarth
Physical Chemistry Chemical Physics 19 ( 8) 6095 -6104
8
2017
A general intermolecular force field based on tight-binding quantum chemical calculations.
Stefan Grimme , Christoph Bannwarth , Eike Caldeweyher , Jana Pisarek
Journal of Chemical Physics 147 ( 16) 161708 -161708
16
2017
Pyridyl Containing 1,5‐Diaza‐3,7‐diphosphacyclooctanes as Bridging Ligands for Dinuclear Copper(I) Complexes
Igor D. Strelnik , Elvira I. Musina , Svetlana N. Ignatieva , Anna S. Balueva
Zeitschrift für anorganische und allgemeine Chemie 643 ( 14) 895 -902
8
2017
Non-covalent Stabilization in Transition Metal Coordination and Organometallic Complexes
Predrag Petrović , Jean-Pierre Djukic , Andreas Hansen , Christoph Bannwarth
Non-covalent Interactions in the Synthesis and Design of New Compounds 115 -143
4
2016
Stefan Grimme Andreas Hansen Sebastian Ehlert Eike Caldeweyher Philipp Pracht Todd J Martinez Jan Gerit Brandenburg Edward G. Hohenstein Arne Lützen Kari Rissanen Philip Shushkov Stefan Huber Frank Neese Jimmy K. Yu Stefan Seritan Bryan Scott Fales Christoph Gütz Filip Topić Jonathan Nitschke Tanya K. Ronson