1. A fast charge‐Dependent atom‐pairwise dispersion correction for DFTB3. Issue 18 (26th February 2015) Authors: Petraglia, Riccardo; Steinmann, Stephan N.; Corminboeuf, Clemence; Eisenstein, Odile; Fliegl, Heike; Hopmann, Kathrin H.; Mennucci, Benedetta Journal: International journal of quantum chemistry Issue: Volume 115:Issue 18(2015:Sep. 19) Page Start: 1265 Record Type: Journal Article View Content: Available online (eLD content is only available in our Reading Rooms) ↗
2. A general method to describe intersystem crossing dynamics in trajectory surface hopping. Issue 18 (6th March 2015) Authors: Mai, Sebastian; Marquetand, Philipp; González, Leticia; Eisenstein, Odile; Fliegl, Heike; Hopmann, Kathrin H.; Mennucci, Benedetta Journal: International journal of quantum chemistry Issue: Volume 115:Issue 18(2015:Sep. 19) Page Start: 1215 Record Type: Journal Article View Content: Available online (eLD content is only available in our Reading Rooms) ↗
3. Ab initio simulations of the structure of thin water layers on defective anatase TiO2(101) surfaces. Issue 18 (20th April 2015) Authors: Aschauer, Ulrich Johannes; Tilocca, Antonio; Selloni, Annabella; Eisenstein, Odile; Fliegl, Heike; Hopmann, Kathrin H.; Mennucci, Benedetta Journal: International journal of quantum chemistry Issue: Volume 115:Issue 18(2015:Sep. 19) Page Start: 1250 Record Type: Journal Article View Content: Available online (eLD content is only available in our Reading Rooms) ↗
4. Absorption shifts of diastereotopically ligated chlorophyll dimers of photosystem I. Issue 13 (15th March 2019) Authors: Suomivuori, Carl-Mikael; Fliegl, Heike; Starikov, Evgeni B.; Balaban, T. Silviu; Kaila, Ville R. I.; Sundholm, Dage Journal: Physical chemistry chemical physics Issue: Volume 21:Issue 13(2019) Page Start: 6851 Record Type: Journal Article View Content: Available online (eLD content is only available in our Reading Rooms) ↗
5. Accelerating Kohn‐Sham response theory using density fitting and the auxiliary‐density‐matrix method. Issue 16 (9th May 2018) Authors: Kumar, Chandan; Fliegl, Heike; Jensen, Frank; Teale, Andrew M.; Reine, Simen; Kjærgaard, Thomas Journal: International journal of quantum chemistry Issue: Volume 118:Issue 16(2018) Page Start: n/a Record Type: Journal Article View Content: Available online (eLD content is only available in our Reading Rooms) ↗
6. Analysis of the magnetically induced current density of molecules consisting of annelated aromatic and antiaromatic hydrocarbon rings. Issue 23 (31st May 2016) Authors: Sundholm, Dage; Berger, Raphael J. F.; Fliegl, Heike Journal: Physical chemistry chemical physics Issue: Volume 18:Issue 23(2016) Page Start: 15934 Record Type: Journal Article View Content: Available online (eLD content is only available in our Reading Rooms) ↗
7. Bicycloaromaticity and Baird-type bicycloaromaticity of dithienothiophene-bridged [34]octaphyrins. Issue 26 (26th June 2018) Authors: Valiev, Rashid R.; Fliegl, Heike; Sundholm, Dage Journal: Physical chemistry chemical physics Issue: Volume 20:Issue 26(2018) Page Start: 17705 Record Type: Journal Article View Content: Available online (eLD content is only available in our Reading Rooms) ↗
8. Calculations of magnetically induced current densities: theory and applications. (13th June 2016) Authors: Sundholm, Dage; Fliegl, Heike; Berger, Raphael J.F. Journal: Wiley interdisciplinary reviews Issue: Volume 6:Number 6(2016:Nov./Dec.) Page Start: 639 Record Type: Journal Article View Content: Available online (eLD content is only available in our Reading Rooms) ↗
9. Closed-shell paramagnetic porphyrinoids. Issue 71 (21st August 2017) Authors: Valiev, Rashid R.; Fliegl, Heike; Sundholm, Dage Journal: Chemical communications Issue: Volume 53:Issue 71(2017) Page Start: 9866 Record Type: Journal Article View Content: Available online (eLD content is only available in our Reading Rooms) ↗
10. Cover Image, Volume 115, Issue 18. Issue 18 (15th September 2015) Authors: Eisenstein, Odile; Fliegl, Heike; Hopmann, Kathrin H.; Mennucci, Benedetta Journal: International journal of quantum chemistry Issue: Volume 115:Issue 18(2015:Sep. 19) Page Start: i Record Type: Journal Article View Content: Available online (eLD content is only available in our Reading Rooms) ↗