| 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 | 1291 | 2009 |
| 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 | 672 | 2013 |
| Dispersion-corrected mean-field electronic structure methods S Grimme, A Hansen, JG Brandenburg, C Bannwarth Chemical reviews 116 (9), 5105-5154, 2016 | 560 | 2016 |
| 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 | 421 | 2009 |
| 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 | 408 | 2017 |
| 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 | 376 | 2009 |
| 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 | 284 | 2015 |
| 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 | 169 | 2009 |
| 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 | 139 | 2011 |
| 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 | 126 | 2011 |
| 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 | 83 | 2018 |
| 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 | 74 | 2019 |
| 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 | 73 | 2012 |
| 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 | 71 | 2015 |
| 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 | 71 | 2014 |
| 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 | 66 | 2015 |
| 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 | 64 | 2012 |
| 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 | 60 | 2018 |
