受强制性开放获取政策约束的文章 - Christoph Bannwarth了解详情
无法在其他位置公开访问的文章：19 篇
Extension of the D3 dispersion coefficient model
E Caldeweyher, C Bannwarth, S Grimme
The Journal of Chemical Physics 147 (3), 034112, 2017
强制性开放获取政策： German Research Foundation
A simplified time-dependent density functional theory approach for electronic ultraviolet and circular dichroism spectra of very large molecules
C Bannwarth, S Grimme
Computational and Theoretical Chemistry 1040, 45-53, 2014
强制性开放获取政策： German Research Foundation
Catalytic deracemization of chiral allenes by sensitized excitation with visible light
A Hölzl-Hobmeier, A Bauer, AV Silva, SM Huber, C Bannwarth, T Bach
Nature 564 (7735), 240-243, 2018
强制性开放获取政策： German Research Foundation
Combinations of Ethers and B(C6F5)3 Function as Hydrogenation Catalysts
LJ Hounjet, C Bannwarth, CN Garon, CB Caputo, S Grimme, DW Stephan
Angewandte Chemie International Edition 52 (29), 7492-7495, 2013
强制性开放获取政策： German Research Foundation
Ultra-fast computation of electronic spectra for large systems by tight-binding based simplified Tamm-Dancoff approximation (sTDA-xTB)
S Grimme, C Bannwarth
The Journal of Chemical Physics 145 (5), 054103, 2016
强制性开放获取政策： German Research Foundation
Enantiotopos‐Selective C–H Oxygenation Catalyzed by a Supramolecular Ruthenium Complex
JR Frost, SM Huber, S Breitenlechner, C Bannwarth, T Bach
Angewandte Chemie International Edition 54 (2), 691-695, 2015
强制性开放获取政策： German Research Foundation
Enantiomerically Pure [M6L12] or [M12L24] Polyhedra from Flexible Bis (Pyridine) Ligands
C Gütz, R Hovorka, C Klein, QQ Jiang, C Bannwarth, M Engeser, ...
Angewandte Chemie International Edition 53, 1693-1698, 2014
强制性开放获取政策： German Research Foundation
A general intermolecular force field based on tight-binding quantum chemical calculations
S Grimme, C Bannwarth, E Caldeweyher, J Pisarek, A Hansen
The Journal of Chemical Physics 147 (16), 161708, 2017
强制性开放获取政策： German Research Foundation
Photochemical deracemization of primary allene amides by triplet energy transfer: a combined synthetic and theoretical study
M Plaza, J Großkopf, S Breitenlechner, C Bannwarth, T Bach
Journal of the American Chemical Society 143 (29), 11209-11217, 2021
强制性开放获取政策： German Research Foundation, Federal Ministry of Education and Research, Germany
Photochemical deracemization of chiral alkenes via triplet energy transfer
T Kratz, P Steinbach, S Breitenlechner, G Storch, C Bannwarth, T Bach
Journal of the American Chemical Society 144 (23), 10133-10138, 2022
强制性开放获取政策： German Research Foundation, Federal Ministry of Education and Research, Germany
Effect of Conjugation Pathway in Metal-Free Room-Temperature Dual Singlet–Triplet Emitters for Organic Light-Emitting Diodes
W Ratzke, L Schmitt, H Matsuoka, C Bannwarth, M Retegan, S Bange, ...
The Journal of Physical Chemistry Letters 7 (22), 4802-4808, 2016
强制性开放获取政策： German Research Foundation, Volkswagen Foundation
Ab Initio Nonadiabatic Molecular Dynamics with Hole–Hole Tamm–Dancoff Approximated Density Functional Theory
JK Yu, C Bannwarth, EG Hohenstein, TJ Martínez
Journal of Chemical Theory and Computation 16 (9), 5499-5511, 2020
强制性开放获取政策： US Department of Energy
Biomolecular structure information from high-speed quantum mechanical electronic spectra calculation
J Seibert, C Bannwarth, S Grimme
Journal of the American Chemical Society 139 (34), 11682-11685, 2017
强制性开放获取政策： German Research Foundation
Electronic Circular Dichroism of [16] Helicene With Simplified TD-DFT: Beyond the Single Structure Approach
C BANNWARTH, J SEIBERT, S GRIMME
Chirality, 2016
强制性开放获取政策： German Research Foundation
Direct synthesis of a geminal zwitterionic phosphonium/hydridoborate system–developing an alternative tool for generating frustrated Lewis pair hydrogen activation systems
J Yu, G Kehr, CG Daniliuc, C Bannwarth, S Grimme, G Erker
Organic & biomolecular chemistry 13 (20), 5783-5792, 2015
强制性开放获取政策： European Commission
Electronic Circular Dichroism of Highly Conjugated π-Systems: Breakdown of the Tamm–Dancoff/Configuration Interaction Singles Approximation
C Bannwarth, S Grimme
The Journal of Physical Chemistry A 119 (15), 3653–3662, 2015
强制性开放获取政策： German Research Foundation
Synthesis, Chiral Resolution, and Absolute Configuration of Functionalized Tröger’s Base Derivatives: Part III
A Jarzebski, C Bannwarth, C Tenten, C Benkhaeuser, G Schnakenburg, ...
Synthesis 47 (20), 3118-3132, 2015
强制性开放获取政策： German Research Foundation
Photoswitchable Quadruple Hydrogen-Bonding Motif
B Tang, M Pauls, C Bannwarth, S Hecht
Journal of the American Chemical Society 146 (1), 45-50, 2023
强制性开放获取政策： Federal Ministry of Education and Research, Germany
NON‐COVALENT STABILIZATION IN TRANSITION METAL COORDINATION AND ORGANOMETALLIC COMPLEXES
P Petrović, JP Djukic, A Hansen, C Bannwarth, S Grimme
Non-covalent Interactions in the Synthesis and Design of New Compounds, 115, 2016
强制性开放获取政策： German Research Foundation
可在其他位置公开访问的文章：33 篇
GFN2-xTB—An accurate and broadly parametrized self-consistent tight-binding quantum chemical method with multipole electrostatics and density-dependent dispersion contributions
C Bannwarth, S Ehlert, S Grimme
Journal of chemical theory and computation 15 (3), 1652-1671, 2019
强制性开放获取政策： German Research Foundation
出版信息和资助信息由计算机程序自动确定