Articles with public access mandates - Andreas HansenLearn more
Not available anywhere: 26
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), 2009
Mandates: German Research Foundation
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
Mandates: German Research Foundation
Accurate theoretical chemistry with coupled pair models
F Neese, A Hansen, F Wennmohs, S Grimme
Accounts of chemical research 42 (5), 641-648, 2009
Mandates: German Research Foundation
Efficient quantum chemical calculation of structure ensembles and free energies for nonrigid molecules
S Grimme, F Bohle, A Hansen, P Pracht, S Spicher, M Stahn
The Journal of Physical Chemistry A 125 (19), 4039-4054, 2021
Mandates: German Research Foundation
The fractional occupation number weighted density as a versatile analysis tool for molecules with a complicated electronic structure
CA Bauer, A Hansen, S Grimme
Chemistry–A European Journal 23 (25), 6150-6164, 2017
Mandates: German Research Foundation
Understanding and quantifying London dispersion effects in organometallic complexes
M Bursch, E Caldeweyher, A Hansen, H Neugebauer, S Ehlert, S Grimme
Accounts of Chemical Research 52 (1), 258-266, 2018
Mandates: German Research Foundation
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), 2012
Mandates: Canadian Institutes of Health Research
Automated molecular cluster growing for explicit solvation by efficient force field and tight binding methods
S Spicher, C Plett, P Pracht, A Hansen, S Grimme
Journal of Chemical Theory and Computation 18 (5), 3174-3189, 2022
Mandates: German Research Foundation
Theoretical study on conformational energies of transition metal complexes
M Bursch, A Hansen, P Pracht, JT Kohn, S Grimme
Physical Chemistry Chemical Physics 23 (1), 287-299, 2021
Mandates: German Research Foundation
Benchmark study of electrochemical redox potentials calculated with semiempirical and DFT methods
H Neugebauer, F Bohle, M Bursch, A Hansen, S Grimme
The Journal of Physical Chemistry A 124 (35), 7166-7176, 2020
Mandates: German Research Foundation
Semiautomated transition state localization for organometallic complexes with semiempirical quantum chemical methods
S Dohm, M Bursch, A Hansen, S Grimme
Journal of Chemical Theory and Computation 16 (3), 2002-2012, 2020
Mandates: 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), 2017
Mandates: German Research Foundation
ωB97X-3c: A composite range-separated hybrid DFT method with a molecule-optimized polarized valence double-ζ basis set
M Müller, A Hansen, S Grimme
The Journal of Chemical Physics 158 (1), 2023
Mandates: German Research Foundation
PCM-ROKS for the Description of Charge-Transfer States in Solution: Singlet–Triplet Gaps with Chemical Accuracy from Open-Shell Kohn–Sham Reaction-Field Calculations
L Kunze, A Hansen, S Grimme, JM Mewes
The Journal of Physical Chemistry Letters 12 (35), 8470-8480, 2021
Mandates: German Research Foundation
Finding the best density functional approximation to describe interaction energies and structures of ionic liquids in molecular dynamics studies
BK Eva Perlt, Promit Ray, Andreas Hansen, Friedrich Malberg, Stefan Grimme
The Journal of Chemical Physics 148, 193835, 2018
Mandates: German Research Foundation
Fast and reasonable geometry optimization of lanthanoid complexes with an extended tight binding quantum chemical method
M Bursch, A Hansen, S Grimme
Inorganic chemistry 56 (20), 12485-12491, 2017
Mandates: German Research Foundation
Co–C bond dissociation energies in cobalamin derivatives and dispersion effects: Anomaly or just challenging?
Z Qu, A Hansen, S Grimme
Journal of Chemical Theory and Computation 11 (3), 1037-1045, 2015
Mandates: German Research Foundation
Quantum chemical calculation of molecular and periodic peptide and protein structures
S Schmitz, J Seibert, K Ostermeir, A Hansen, AH Göller, S Grimme
The Journal of Physical Chemistry B 124 (18), 3636-3646, 2020
Mandates: German Research Foundation
Towards understanding solvation effects on the conformational entropy of non-rigid molecules
J Gorges, S Grimme, A Hansen, P Pracht
Physical Chemistry Chemical Physics 24 (20), 12249-12259, 2022
Mandates: German Research Foundation, Federal Ministry of Education and Research, Germany
A non-self-consistent tight-binding electronic structure potential in a polarized double-ζ basis set for all spd-block elements up to Z= 86
S Grimme, M Müller, A Hansen
The Journal of Chemical Physics 158 (12), 2023
Mandates: German Research Foundation
Publication and funding information is determined automatically by a computer program