Andreas Hansen
Andreas Hansen
Akademischer Oberrat, Mulliken Center for Theoretical Chemistry, University of Bonn
Verified email at thch.uni-bonn.de - Homepage
Title
Cited by
Cited by
Year
Efficient, approximate and parallel Hartree–Fock and hybrid DFT calculations. A ‘chain-of-spheres’ algorithm for the Hartree–Fock exchange
F Neese, F Wennmohs, A Hansen, U Becker
Chemical Physics 356 (1-3), 98-109, 2009
15662009
ORCA 2.9
U Becker, D Bykov, D Ganyushin, A Hansen, R Izsak, DG Liakos, ...
Max Planck Institute for Bioinorganic Chemistry, 2012
1183*2012
Natural triple excitations in local coupled cluster calculations with pair natural orbitals
C Riplinger, B Sandhoefer, A Hansen, F Neese
The Journal of chemical physics 139 (13), 134101, 2013
8742013
Dispersion-corrected mean-field electronic structure methods
S Grimme, A Hansen, JG Brandenburg, C Bannwarth
Chemical reviews 116 (9), 5105-5154, 2016
7162016
A look at the density functional theory zoo with the advanced GMTKN55 database for general main group thermochemistry, kinetics and noncovalent interactions
L Goerigk, A Hansen, C Bauer, S Ehrlich, A Najibi, S Grimme
Physical Chemistry Chemical Physics 19 (48), 32184-32215, 2017
6582017
Efficient and accurate local approximations to coupled-electron pair approaches: An attempt to revive the pair natural orbital method
F Neese, F Wennmohs, A Hansen
The Journal of chemical physics 130 (11), 114108, 2009
4672009
Efficient and accurate approximations to the local coupled cluster singles doubles method using a truncated pair natural orbital basis
F Neese, A Hansen, DG Liakos
The Journal of chemical physics 131 (6), 064103, 2009
4382009
Consistent structures and interactions by density functional theory with small atomic orbital basis sets
S Grimme, JG Brandenburg, C Bannwarth, A Hansen
The Journal of chemical physics 143 (5), 054107, 2015
3942015
A generally applicable atomic-charge dependent London dispersion correction
E Caldeweyher, S Ehlert, A Hansen, H Neugebauer, S Spicher, ...
The Journal of chemical physics 150 (15), 154122, 2019
1932019
Accurate theoretical chemistry with coupled pair models
F Neese, A Hansen, F Wennmohs, S Grimme
Accounts of chemical research 42 (5), 641-648, 2009
1782009
B97-3c: A revised low-cost variant of the B97-D density functional method
JG Brandenburg, C Bannwarth, A Hansen, S Grimme
The Journal of chemical physics 148 (6), 064104, 2018
1682018
Efficient and accurate local single reference correlation methods for high-spin open-shell molecules using pair natural orbitals
A Hansen, DG Liakos, F Neese
The Journal of chemical physics 135 (21), 214102, 2011
1592011
Weak molecular interactions studied with parallel implementations of the local pair natural orbital coupled pair and coupled cluster methods
DG Liakos, A Hansen, F Neese
Journal of chemical theory and computation 7 (1), 76-87, 2011
1402011
A Practicable Real‐Space Measure and Visualization of Static Electron‐Correlation Effects
S Grimme, A Hansen
Angewandte Chemie International Edition 54 (42), 12308-12313, 2015
1242015
Comprehensive thermochemical benchmark set of realistic closed-shell metal organic reactions
S Dohm, A Hansen, M Steinmetz, S Grimme, MP Checinski
Journal of chemical theory and computation 14 (5), 2596-2608, 2018
972018
Fully automated quantum‐chemistry‐based computation of spin–spin‐coupled nuclear magnetic resonance spectra
S Grimme, C Bannwarth, S Dohm, A Hansen, J Pisarek, P Pracht, ...
Angewandte Chemie International Edition 56 (46), 14763-14769, 2017
91*2017
Electronic structure analysis of the oxygen-activation mechanism by FeII-and α-ketoglutarate (αKG)-dependent dioxygenases
S Ye, C Riplinger, A Hansen, C Krebs, JM Bollinger Jr, F Neese
Chemistry (Weinheim an der Bergstrasse, Germany) 18 (21), 6555, 2012
902012
Quantum chemical benchmark study on 46 RNA backbone families using a dinucleotide unit
H Kruse, A Mladek, K Gkionis, A Hansen, S Grimme, J Sponer
Journal of chemical theory and computation 11 (10), 4972-4991, 2015
852015
The thermochemistry of london dispersion-driven transition metal reactions: getting the ‘right answer for the right reason’
A Hansen, C Bannwarth, S Grimme, P Petrović, C Werlé, JP Djukic
ChemistryOpen 3 (5), 177, 2014
772014
Hydrosilylation of ketones, imines and nitriles catalysed by electrophilic phosphonium cations: Functional group selectivity and mechanistic considerations
M Perez, ZW Qu, CB Caputo, V Podgorny, LJ Hounjet, A Hansen, ...
Chemistry–A European Journal 21 (17), 6491-6500, 2015
742015
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Articles 1–20