Andreas Hansen
Andreas Hansen
Akademischer Oberrat, Mulliken Center for Theoretical Chemistry, University of Bonn
Bestätigte E-Mail-Adresse bei thch.uni-bonn.de - Startseite
Titel
Zitiert von
Zitiert von
Jahr
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
12912009
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
6722013
Dispersion-corrected mean-field electronic structure methods
S Grimme, A Hansen, JG Brandenburg, C Bannwarth
Chemical reviews 116 (9), 5105-5154, 2016
5602016
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
4212009
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
4082017
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
3762009
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
2842015
ORCA 2.9
U Becker, D Bykov, D Ganyushin, A Hansen, R Izsak, DG Liakos, ...
Max Planck Institute for Bioinorganic Chemistry, 2012
202*2012
Accurate theoretical chemistry with coupled pair models
F Neese, A Hansen, F Wennmohs, S Grimme
Accounts of chemical research 42 (5), 641-648, 2009
1692009
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
1392011
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
1262011
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
88*2015
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
832018
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
742019
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, F Neese
Chemistry–A European Journal 18 (21), 6555-6567, 2012
732012
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
712015
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), 177-189, 2014
712014
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
662015
Accurate thermochemistry from a parameterized coupled-cluster singles and doubles model and a local pair natural orbital based implementation for applications to larger systems
LMJ Huntington, A Hansen, F Neese, M Nooijen
The Journal of chemical physics 136 (6), 064101, 2012
642012
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
602018
Das System kann den Vorgang jetzt nicht ausführen. Versuchen Sie es später erneut.
Artikel 1–20