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Armin Hellweg - Publications

Affiliations: 
2004-2008 Chemistry and Biochemistry Ruhr-Universität Bochum, Bochum, Nordrhein-Westfalen, Germany 
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10 high-probability publications. We are testing a new system for linking publications to authors. You can help! If you notice any inaccuracies, please sign in and mark papers as correct or incorrect matches. If you identify any major omissions or other inaccuracies in the publication list, please let us know.

Year Citation  Score
2020 Balasubramani SG, Chen GP, Coriani S, Diedenhofen M, Frank MS, Franzke YJ, Furche F, Grotjahn R, Harding ME, Hättig C, Hellweg A, Helmich-Paris B, Holzer C, Huniar U, Kaupp M, et al. TURBOMOLE: Modular program suite for ab initio quantum-chemical and condensed-matter simulations. The Journal of Chemical Physics. 152: 184107. PMID 32414256 DOI: 10.1063/5.0004635  0.418
2012 Hellweg A, Diedenhofen M, Huniar U. thermocalc - a poor man's approach to computational thermochemistry. Journal of Computational Chemistry. 33: 881-6. PMID 22278903 DOI: 10.1002/jcc.22918  0.395
2011 Hellweg A. The accuracy of dipole moments from spin-component scaled CC2 in ground and electronically excited states. The Journal of Chemical Physics. 134: 064103. PMID 21322657 DOI: 10.1063/1.3549818  0.408
2009 Balaban TS, Braun P, Hättig C, Hellweg A, Kern J, Saenger W, Zouni A. Preferential pathways for light-trapping involving beta-ligated chlorophylls. Biochimica Et Biophysica Acta. 1787: 1254-65. PMID 19481055 DOI: 10.1016/J.Bbabio.2009.05.010  0.468
2008 Hellweg A, Grün SA, Hättig C. Benchmarking the performance of spin-component scaled CC2 in ground and electronically excited states. Physical Chemistry Chemical Physics : Pccp. 10: 4119-27. PMID 18612515 DOI: 10.1039/B803727B  0.555
2007 Hellweg A, Hättig C. On the internal rotations in p-cresol in its ground and first electronically excited states. The Journal of Chemical Physics. 127: 024307. PMID 17640128 DOI: 10.1063/1.2752163  0.557
2007 Hellweg A, Hättig C, Höfener S, Klopper W. Optimized accurate auxiliary basis sets for RI-MP2 and RI-CC2 calculations for the atoms Rb to Rn Theoretical Chemistry Accounts. 117: 587-597. DOI: 10.1007/S00214-007-0250-5  0.557
2006 Hättig C, Hellweg A, Köhn A. Intramolecular charge-transfer mechanism in quinolidines: the role of the amino twist angle. Journal of the American Chemical Society. 128: 15672-82. PMID 17147377 DOI: 10.1021/Ja0642010  0.535
2006 Hellweg A, Hättig C, Merke I, Stahl W. Microwave and theoretical investigation of the internal rotation in m-cresol. The Journal of Chemical Physics. 124: 204305. PMID 16774330 DOI: 10.1063/1.2198842  0.558
2006 Hättig C, Hellweg A, Köhn A. 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. PMID 16633596 DOI: 10.1039/B515355G  0.554
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