21. Computational Analysis of 47/49Ti NMR Shifts and Electric Field Gradient Tensors of Half‐Titanocene Complexes: Structure–Bonding–Property Relationships. Issue 36 (26th July 2013) Authors: Srebro, Monika; Autschbach, Jochen Journal: Chemistry Issue: Volume 19:Issue 36(2013) Page Start: 12018 Record Type: Journal Article View Content: Available online (eLD content is only available in our Reading Rooms) ↗
22. Computational mechanistic studies of the carbon–carbon double bond difunctionalization via epoxidation and subsequent aminolysis in vegetable oils. Issue 10 (2nd February 2021) Authors: Abdullayev, Yusif; Abbasov, Vagif; Nasirov, Fuzuli; Rzayeva, Nigar; Nasibova, Leyla; Autschbach, Jochen Journal: International journal of quantum chemistry Issue: Volume 121:Issue 10(2021) Page Start: n/a Record Type: Journal Article View Content: Available online (eLD content is only available in our Reading Rooms) ↗
23. Computational mechanistic studies on persulfate assisted p‐phenylenediamine polymerization. Issue 19 (1st June 2022) Authors: Abdullayev, Yusif; Rzayev, Ramil; Autschbach, Jochen Journal: Journal of computational chemistry Issue: Volume 43:Issue 19(2022) Page Start: 1313 Record Type: Journal Article View Content: Available online (eLD content is only available in our Reading Rooms) ↗
24. Computational prediction and analysis of the 27Al solid-state NMR spectrum of methylaluminoxane (MAO) at variable temperatures and field strengths. Issue 34 (15th August 2016) Authors: Falls, Zackary; Zurek, Eva; Autschbach, Jochen Journal: Physical chemistry chemical physics Issue: Volume 18:Issue 34(2016) Page Start: 24106 Record Type: Journal Article View Content: Available online (eLD content is only available in our Reading Rooms) ↗
25. Computational predictions on Brønsted acidic ionic liquid-catalyzed carbon dioxide conversion to five-membered heterocyclic carbonyl derivatives. Issue 12 (9th March 2023) Authors: Abdullayev, Yusif; Karimova, Nazani; Schenberg, Leonardo A.; Ducati, Lucas C.; Autschbach, Jochen Journal: Physical chemistry chemical physics Issue: Volume 25:Issue 12(2023) Page Start: 8624 Record Type: Journal Article View Content: Available online (eLD content is only available in our Reading Rooms) ↗
26. Conformational changes and chiroptical switching of enantiopure bis-helicenic terpyridine upon Zn2+ binding. Issue 35 (7th April 2016) Authors: Isla, Helena; Srebro-Hooper, Monika; Jean, Marion; Vanthuyne, Nicolas; Roisnel, Thierry; Lunkley, Jamie L.; Muller, Gilles; Williams, J. A. Gareth; Autschbach, Jochen; Crassous, Jeanne Journal: Chemical communications Issue: Volume 52:Issue 35(2016) Page Start: 5932 Record Type: Journal Article View Content: Available online (eLD content is only available in our Reading Rooms) ↗
27. Construction of New Azo‐group Containing Polycyclic Imidazole Derivatives: Computational Mechanistic, Structural, and Fluorescence Studies. Issue 20 (28th May 2020) Authors: Abdullayev, Yusif; Mammadov, Ayaz; Karimova, Nazani; Talybov, Avtandil; Yolchuyeva, Ulviyya; Autschbach, Jochen Journal: ChemistrySelect Issue: Volume 5:Issue 20(2020) Page Start: 6224 Record Type: Journal Article View Content: Available online (eLD content is only available in our Reading Rooms) ↗
28. Correction: Assessing the exchange coupling in binuclear lanthanide(iii) complexes and the slow relaxation of the magnetization in the antiferromagnetically coupled Dy2 derivative. Issue 8 (14th August 2015) Authors: Chow, Chun Y.; Bolvin, Hélène; Campbell, Victoria E.; Guillot, Régis; Kampf, Jeff W.; Wernsdorfer, Wolfgang; Gendron, Frédéric; Autschbach, Jochen; Pecoraro, Vincent L.; Mallah, Talal Journal: Chemical science Issue: Volume 6:Issue 8(2015:Aug.) Page Start: 5087 Record Type: Journal Article View Content: Available online (eLD content is only available in our Reading Rooms) ↗
29. Correction: Enhanced 5f-δ bonding in [U(C7H7)2]−: C K-edge XAS, magnetism, and ab initio calculations. Issue 96 (24th November 2021) Authors: Qiao, Yusen; Ganguly, Gaurab; Booth, Corwin H.; Branson, Jacob A.; Ditter, Alexander S.; Lussier, Daniel J.; Moreau, Liane M.; Russo, Dominic R.; Sergentu, Dumitru-Claudiu; Shuh, David K.; Sun, Taoxiang; Autschbach, Jochen; Minasian, Stefan G. Journal: Chemical communications Issue: Volume 57:Issue 96(2021) Page Start: 13028 Record Type: Journal Article View Content: Available online (eLD content is only available in our Reading Rooms) ↗
30. Correction: ThC2@C82versus Th@C84: unexpected formation of triangular thorium carbide cluster inside fullerenes. Issue 3 (3rd January 2023) Authors: Shen, Yi; Yu, Xiaojuan; Meng, Qingyu; Yao, Yang-Rong; Autschbach, Jochen; Chen, Ning Journal: Chemical science Issue: Volume 14:Issue 3(2023) Page Start: 721 Record Type: Journal Article View Content: Available online (eLD content is only available in our Reading Rooms) ↗