| The D alton quantum chemistry program system K Aidas, C Angeli, KL Bak, V Bakken, R Bast, L Boman, O Christiansen, ... Wiley Interdisciplinary Reviews: Computational Molecular Science 4 (3), 269-284, 2014 | 1388 | 2014 |
| The gauge including magnetically induced current method H Fliegl, S Taubert, O Lehtonen, D Sundholm Physical Chemistry Chemical Physics 13 (46), 20500-20518, 2011 | 374 | 2011 |
| Calculations of magnetically induced current densities: theory and applications D Sundholm, H Fliegl, RJF Berger Wiley Interdisciplinary Reviews: Computational Molecular Science 6 (6), 639-678, 2016 | 311 | 2016 |
| Ab Initio Calculation of the Vibrational and Electronic Spectra of trans- and cis-Azobenzene H Fliegl, A Köhn, C Hättig, R Ahlrichs Journal of the American Chemical Society 125 (32), 9821-9827, 2003 | 276 | 2003 |
| Coupled-cluster theory with simplified linear-r12 corrections: The CCSD (R12) model H Fliegl, W Klopper, C Hättig The Journal of chemical physics 122 (8), 2005 | 198 | 2005 |
| Magnetically induced current densities in aromatic, antiaromatic, homoaromatic, and nonaromatic hydrocarbons H Fliegl, D Sundholm, S Taubert, J Jusélius, W Klopper The Journal of Physical Chemistry A 113 (30), 8668-8676, 2009 | 192 | 2009 |
| All-metal aromaticity: revisiting the ring current model among transition metal clusters Z Badri, S Pathak, H Fliegl, P Rashidi-Ranjbar, R Bast, R Marek, ... Journal of chemical theory and computation 9 (11), 4789-4796, 2013 | 112 | 2013 |
| Aromatic pathways of porphins, chlorins, and bacteriochlorins H Fliegl, D Sundholm The Journal of organic chemistry 77 (7), 3408-3414, 2012 | 108 | 2012 |
| Wiley Interdiscip D Sundholm, H Fliegl, RJF Berger Rev.: Comput. Mol. Sci 6 (639), 10.1002, 2016 | 106 | 2016 |
| Expanding the Coordination Cage: A Ruthenium (II)− Polypyridine Complex Exhibiting High Quantum Yields under Ambient Conditions F Schramm, V Meded, H Fliegl, K Fink, O Fuhr, Z Qu, W Klopper, S Finn, ... Inorganic chemistry 48 (13), 5677-5684, 2009 | 95 | 2009 |
| Three-dimensional aromaticity in an antiaromatic cyclophane R Nozawa, J Kim, J Oh, A Lamping, Y Wang, S Shimizu, I Hisaki, ... Nature communications 10 (1), 3576, 2019 | 82 | 2019 |
| Inclusion of the (T) triples correction into the linear‐r12 corrected coupled‐cluster model CCSD(R12) H Fliegl, C Hättig, W Klopper International journal of quantum chemistry 106 (11), 2306-2317, 2006 | 79 | 2006 |
| Analysis of the magnetically induced current density of molecules consisting of annelated aromatic and antiaromatic hydrocarbon rings D Sundholm, RJF Berger, H Fliegl Physical Chemistry Chemical Physics 18 (23), 15934-15942, 2016 | 72 | 2016 |
| Aromatic pathways in twisted hexaphyrins H Fliegl, D Sundholm, S Taubert, F Pichierri The Journal of Physical Chemistry A 114 (26), 7153-7161, 2010 | 69 | 2010 |
| Effect of fluorine substitution on the aromaticity of polycyclic hydrocarbons M Kaipio, M Patzschke, H Fliegl, F Pichierri, D Sundholm The Journal of Physical Chemistry A 116 (41), 10257-10268, 2012 | 68 | 2012 |
| Wiley Interdiscip. Rev.: Comput. Mol. Sci. 4, 269 (2014) K Aidas, C Angeli, KL Bak, V Bakken, R Bast, L Boman, O Christiansen, ... | 65 | |
| Gauge-origin independent calculations of the anisotropy of the magnetically induced current densities H Fliegl, J Juselius, D Sundholm The Journal of Physical Chemistry A 120 (28), 5658-5664, 2016 | 55 | 2016 |
| Coupled-cluster response theory with linear-r12 corrections: The CC2-R12 model for excitation energies H Fliegl, C Hättig, W Klopper The Journal of chemical physics 124 (4), 2006 | 54 | 2006 |
| Insights into magnetically induced current pathways and optical properties of isophlorins RR Valiev, H Fliegl, D Sundholm The Journal of Physical Chemistry A 117 (37), 9062-9068, 2013 | 53 | 2013 |
| Calculation of vibrationally resolved absorption spectra of acenes and pyrene I Benkyi, E Tapavicza, H Fliegl, D Sundholm Physical Chemistry Chemical Physics 21 (37), 21094-21103, 2019 | 51 | 2019 |
Dage SundholmProfessor in theoretical and computational chemistryVerified email at helsinki.fi
