1. A local similarity transformed equation of motion approach for calculating excited states. Issue 3 (30th May 2020) Authors: Izsák, Róbert Other Names: König Carolin guestEditor.; Krewald Vera guestEditor.; Roemelt Michael guestEditor.; Rossi Mariana guestEditor. Journal: International journal of quantum chemistry Issue: Volume 121:Issue 3(2021) Page Start: n/a Record Type: Journal Article View Content: Available online (eLD content is only available in our Reading Rooms) ↗
2. A user‐friendly, Python‐based quantum mechanics/Gromacs interface: gmx2qmmm. Issue 3 (9th October 2020) Authors: Götze, Jan P.; Pi, Yuan‐Wei; Petry, Simon; Langkabel, Fabian; Witte, Jan Felix; Lemke, Oliver Other Names: König Carolin guestEditor.; Krewald Vera guestEditor.; Roemelt Michael guestEditor.; Rossi Mariana guestEditor. Journal: International journal of quantum chemistry Issue: Volume 121:Issue 3(2021) Page Start: n/a Record Type: Journal Article View Content: Available online (eLD content is only available in our Reading Rooms) ↗
3. Analytical shell models for light atoms. Issue 3 (19th March 2020) Authors: Finzel, Kati Other Names: König Carolin guestEditor.; Krewald Vera guestEditor.; Roemelt Michael guestEditor.; Rossi Mariana guestEditor. Journal: International journal of quantum chemistry Issue: Volume 121:Issue 3(2021) Page Start: n/a Record Type: Journal Article View Content: Available online (eLD content is only available in our Reading Rooms) ↗
4. Calibration of computational Mössbauer spectroscopy to unravel active sites in FeNC catalysts for the oxygen reduction reaction. Issue 3 (25th July 2020) Authors: Gallenkamp, Charlotte; Kramm, Ulrike I.; Proppe, Jonny; Krewald, Vera Other Names: König Carolin guestEditor.; Krewald Vera guestEditor.; Roemelt Michael guestEditor.; Rossi Mariana guestEditor. Journal: International journal of quantum chemistry Issue: Volume 121:Issue 3(2021) Page Start: n/a Record Type: Journal Article View Content: Available online (eLD content is only available in our Reading Rooms) ↗
5. Chemical insights into the electronic structure of Fe(II) porphyrin using FCIQMC, DMRG, and generalized active spaces. Issue 3 (10th October 2020) Authors: Weser, Oskar; Freitag, Leon; Guther, Kai; Alavi, Ali; Li Manni, Giovanni Other Names: König Carolin guestEditor.; Krewald Vera guestEditor.; Roemelt Michael guestEditor.; Rossi Mariana guestEditor. Journal: International journal of quantum chemistry Issue: Volume 121:Issue 3(2021) Page Start: n/a Record Type: Journal Article View Content: Available online (eLD content is only available in our Reading Rooms) ↗
6. Cover Image, Volume 121, Issue 3. Issue 3 (23rd December 2020) Authors: Maksimov, Dmitrii; Baldauf, Carsten; Rossi, Mariana Other Names: König Carolin guestEditor.; Krewald Vera guestEditor.; Roemelt Michael guestEditor.; Rossi Mariana guestEditor. Journal: International journal of quantum chemistry Issue: Volume 121:Issue 3(2021) Page Start: n/a Record Type: Journal Article View Content: Available online (eLD content is only available in our Reading Rooms) ↗
7. Evidence for protein misfolding in the presence of nanoplastics. Issue 3 (24th June 2020) Authors: Hollóczki, Oldamur Other Names: König Carolin guestEditor.; Krewald Vera guestEditor.; Roemelt Michael guestEditor.; Rossi Mariana guestEditor. Journal: International journal of quantum chemistry Issue: Volume 121:Issue 3(2021) Page Start: n/a Record Type: Journal Article View Content: Available online (eLD content is only available in our Reading Rooms) ↗
8. Germany's Future in Theoretical and Computational Chemistry: a Special Issue Celebrating DEAL. Issue 3 (23rd December 2020) Authors: König, Carolin; Krewald, Vera; Roemelt, Michael; Rossi, Mariana Other Names: König Carolin guestEditor.; Krewald Vera guestEditor.; Roemelt Michael guestEditor.; Rossi Mariana guestEditor. Journal: International journal of quantum chemistry Issue: Volume 121:Issue 3(2021) Page Start: n/a Record Type: Journal Article View Content: Available online (eLD content is only available in our Reading Rooms) ↗
9. Insight into the X‐ray absorption spectra of Cu‐porphyrazines from electronic structure theory. Issue 3 (26th October 2020) Authors: Boydas, Esma Birsen; Winter, Bernd; Batchelor, David; Roemelt, Michael Other Names: König Carolin guestEditor.; Krewald Vera guestEditor.; Roemelt Michael guestEditor.; Rossi Mariana guestEditor. Journal: International journal of quantum chemistry Issue: Volume 121:Issue 3(2021) Page Start: n/a Record Type: Journal Article View Content: Available online (eLD content is only available in our Reading Rooms) ↗
10. Issue Information. Issue 3 (23rd December 2020) Other Names: König Carolin guestEditor.; Krewald Vera guestEditor.; Roemelt Michael guestEditor.; Rossi Mariana guestEditor. Journal: International journal of quantum chemistry Issue: Volume 121:Issue 3(2021) Page Start: n/a Record Type: Journal Article View Content: Available online (eLD content is only available in our Reading Rooms) ↗