Andreas Hansen
Andreas Hansen
Akademischer Oberrat, Mulliken Center for Theoretical Chemistry, University of Bonn
Verified email at thch.uni-bonn.de - Homepage
TitleCited byYear
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
11252009
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
5532013
Dispersion-corrected mean-field electronic structure methods
S Grimme, A Hansen, JG Brandenburg, C Bannwarth
Chemical reviews 116 (9), 5105-5154, 2016
4532016
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
3802009
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
3372009
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
2622017
ORCA 2.9
U Becker, D Bykov, D Ganyushin, A Hansen, R Izsak, DG Liakos, ...
Max Planck Institute for Bioinorganic Chemistry, 2012
253*2012
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
2282015
Accurate theoretical chemistry with coupled pair models
F Neese, A Hansen, F Wennmohs, S Grimme
Accounts of chemical research 42 (5), 641-648, 2009
1622009
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
1302011
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, 2010
1152010
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 Werle, JP Djukic
ChemistryOpen 3 (5), 177-189, 2014
682014
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–A European Journal 18 (21), 6555-6567, 2012
682012
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
642015
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
612015
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
602012
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
59*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
472018
Excited states using the simplified Tamm–Dancoff-Approach for range-separated hybrid density functionals: Development and application
T Risthaus, A Hansen, S Grimme
Physical Chemistry Chemical Physics 16 (28), 14408-14419, 2014
442014
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
352018
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Articles 1–20