1. A polarizable coarse-grained model for metal, metal oxide and composite metal/metal oxide nanoparticles and its applications. Issue 45 (10th November 2022) Authors: Rinkevicius, Zilvinas; Kaminskas, Marius; Palevičius, Paulius; Ragulskis, Minvydas; Bočkutė, Kristina; Sriubas, Mantas; Laukaitis, Giedrius Journal: Physical chemistry chemical physics Issue: Volume 24:Issue 45(2022) Page Start: 27742 Record Type: Journal Article View Content: Available online (eLD content is only available in our Reading Rooms) ↗
2. A polarizable coarse-grained model for metal, metal oxide and composite metal/metal oxide nanoparticles: development and implementation. Issue 45 (11th November 2022) Authors: Rinkevicius, Zilvinas; Kaminskas, Marius; Palevičius, Paulius; Ragulskis, Minvydas; Bočkutė, Kristina; Sriubas, Mantas; Laukaitis, Giedrius Journal: Physical chemistry chemical physics Issue: Volume 24:Issue 45(2022) Page Start: 27731 Record Type: Journal Article View Content: Available online (eLD content is only available in our Reading Rooms) ↗
3. Efficient Kohn–Sham density-functional theory implementation of isotropic spectroscopic observables associated with quadratic response functions. (1st December 2022) Authors: Ahmadzadeh, Karan; Li, Xin; Rinkevicius, Zilvinas; Norman, Patrick Journal: Electronic structure Issue: Volume 4:Number 4(2022) Page Start: Record Type: Journal Article View Content: Available online (eLD content is only available in our Reading Rooms) ↗
4. Formation of N-oxide in the third oxidation of [RuII(tpy)(L)(OH2)]2+. Issue 41 (8th May 2017) Authors: Wang, Ying; Rinkevicius, Zilvinas; Ahlquist, Mårten S. G. Journal: Chemical communications Issue: Volume 53:Issue 41(2017) Page Start: 5622 Record Type: Journal Article View Content: Available online (eLD content is only available in our Reading Rooms) ↗
5. Gator: A Python‐driven program for spectroscopy simulations using correlated wave functions. (17th March 2021) Authors: Rehn, Dirk R.; Rinkevicius, Zilvinas; Herbst, Michael F.; Li, Xin; Scheurer, Maximilian; Brand, Manuel; Dempwolff, Adrian L.; Brumboiu, Iulia E.; Fransson, Thomas; Dreuw, Andreas; Norman, Patrick Journal: Wiley interdisciplinary reviews Issue: Volume 11:Number 6(2021) Page Start: n/a Record Type: Journal Article View Content: Available online (eLD content is only available in our Reading Rooms) ↗
6. Mechanistic Studies on NaHCO3 Hydrogenation and HCOOH Dehydrogenation Reactions Catalysed by a FeII Linear Tetraphosphine Complex. Issue 20 (24th January 2018) Authors: Marcos, Rocío; Bertini, Federica; Rinkevicius, Zilvinas; Peruzzini, Maurizio; Gonsalvi, Luca; Ahlquist, Mårten S. G. Journal: Chemistry Issue: Volume 24:Issue 20(2018) Page Start: 5366 Record Type: Journal Article View Content: Available online (eLD content is only available in our Reading Rooms) ↗
7. Plasmonic nano-shells: atomistic discrete interaction versus classic electrodynamics models. Issue 24 (10th June 2020) Authors: Zakomirnyi, Vadim I.; Rasskazov, Ilia L.; Sørensen, Lasse K.; Carney, P. Scott; Rinkevicius, Zilvinas; Ågren, Hans Journal: Physical chemistry chemical physics Issue: Volume 22:Issue 24(2020) Page Start: 13467 Record Type: Journal Article View Content: Available online (eLD content is only available in our Reading Rooms) ↗
8. The Dalton quantum chemistry program system. (23rd September 2013) Authors: Aidas, Kestutis; Angeli, Celestino; Bak, Keld L.; Bakken, Vebjørn; Bast, Radovan; Boman, Linus; Christiansen, Ove; Cimiraglia, Renzo; Coriani, Sonia; Dahle, Pål; Dalskov, Erik K.; Ekström, Ulf; Enevoldsen, Thomas; Eriksen, Janus J.; Ettenhuber, Patrick; Fernández, Berta; Ferrighi, Lara; Fliegl, H... Journal: Wiley interdisciplinary reviews Issue: Volume 4:Number 3(2014:May/Jun.) Page Start: 269 Record Type: Journal Article View Content: Available online (eLD content is only available in our Reading Rooms) ↗
9. The Dalton quantum chemistry program system. (23rd September 2013) Authors: Aidas, Kestutis; Angeli, Celestino; Bak, Keld L.; Bakken, Vebjørn; Bast, Radovan; Boman, Linus; Christiansen, Ove; Cimiraglia, Renzo; Coriani, Sonia; Dahle, Pål; Dalskov, Erik K.; Ekström, Ulf; Enevoldsen, Thomas; Eriksen, Janus J.; Ettenhuber, Patrick; Fernández, Berta; Ferrighi, Lara; Fliegl, H... Journal: Wiley interdisciplinary reviews Issue: Volume 4:Number 3(2014:May/Jun.) Page Start: 269 Record Type: Journal Article View Content: Available online (eLD content is only available in our Reading Rooms) ↗
10. VeloxChem: A Python‐driven density‐functional theory program for spectroscopy simulations in high‐performance computing environments. (11th December 2019) Authors: Rinkevicius, Zilvinas; Li, Xin; Vahtras, Olav; Ahmadzadeh, Karan; Brand, Manuel; Ringholm, Magnus; List, Nanna Holmgaard; Scheurer, Maximilian; Scott, Mikael; Dreuw, Andreas; Norman, Patrick Journal: Wiley interdisciplinary reviews Issue: Volume 10:Number 5(2020) Page Start: n/a Record Type: Journal Article View Content: Available online (eLD content is only available in our Reading Rooms) ↗