Armin Hellweg
Affiliations: | 2004-2008 | Chemistry and Biochemistry | Ruhr-Universität Bochum, Bochum, Nordrhein-Westfalen, Germany |
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Publications
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| Balasubramani SG, Chen GP, Coriani S, et al. (2020) TURBOMOLE: Modular program suite for ab initio quantum-chemical and condensed-matter simulations. The Journal of Chemical Physics. 152: 184107 |
| Hellweg A, Diedenhofen M, Huniar U. (2012) thermocalc - a poor man's approach to computational thermochemistry. Journal of Computational Chemistry. 33: 881-6 |
| Hellweg A. (2011) The accuracy of dipole moments from spin-component scaled CC2 in ground and electronically excited states. The Journal of Chemical Physics. 134: 064103 |
| Balaban TS, Braun P, Hättig C, et al. (2009) Preferential pathways for light-trapping involving beta-ligated chlorophylls. Biochimica Et Biophysica Acta. 1787: 1254-65 |
| Hellweg A, Grün SA, Hättig C. (2008) Benchmarking the performance of spin-component scaled CC2 in ground and electronically excited states. Physical Chemistry Chemical Physics : Pccp. 10: 4119-27 |
| Hellweg A, Hättig C. (2007) On the internal rotations in p-cresol in its ground and first electronically excited states. The Journal of Chemical Physics. 127: 024307 |
| Hellweg A, Hättig C, Höfener S, et al. (2007) Optimized accurate auxiliary basis sets for RI-MP2 and RI-CC2 calculations for the atoms Rb to Rn Theoretical Chemistry Accounts. 117: 587-597 |
| Hättig C, Hellweg A, Köhn A. (2006) Intramolecular charge-transfer mechanism in quinolidines: the role of the amino twist angle. Journal of the American Chemical Society. 128: 15672-82 |
| Hellweg A, Hättig C, Merke I, et al. (2006) Microwave and theoretical investigation of the internal rotation in m-cresol. The Journal of Chemical Physics. 124: 204305 |
| Hättig C, Hellweg A, Köhn A. (2006) Distributed memory parallel implementation of energies and gradients for second-order Møller-Plesset perturbation theory with the resolution-of-the-identity approximation. Physical Chemistry Chemical Physics : Pccp. 8: 1159-69 |