1. A computational mechanistic study of CH hydroxylation with mononuclear copper–oxygen complexes. Issue 2 (18th August 2022) Authors: Lan, Zhenzhuo; Toney, Jacob; Mallikarjun Sharada, Shaama Journal: Catalysis science & technology Issue: Volume 13:Issue 2(2023) Page Start: 342 Record Type: Journal Article View Content: Available online (eLD content is only available in our Reading Rooms) ↗
2. A computational study of the mechanism of chloroalkane dechlorination with Rh(i) complexes. Issue 6 (1st February 2022) Authors: Bac, Selin; Fieser, Megan E.; Mallikarjun Sharada, Shaama Journal: Physical chemistry chemical physics Issue: Volume 24:Issue 6(2022) Page Start: 3518 Record Type: Journal Article View Content: Available online (eLD content is only available in our Reading Rooms) ↗
3. A framework for constructing linear free energy relationships to design molecular transition metal catalysts. Issue 29 (13th July 2021) Authors: Lan, Zhenzhuo; Mallikarjun Sharada, Shaama Journal: Physical chemistry chemical physics Issue: Volume 23:Issue 29(2021) Page Start: 15543 Record Type: Journal Article View Content: Available online (eLD content is only available in our Reading Rooms) ↗
4. A new mechanism of metal-ligand cooperative catalysis in transfer hydrogenation of ketones. (15th May 2020) Authors: Demianets, Ivan; Cherepakhin, Valeriy; Maertens, Alexander; Lauridsen, Paul J.; Mallikarjun Sharada, Shaama; Williams, Travis J. Journal: Polyhedron Issue: Volume 182(2020) Page Start: Record Type: Journal Article View Content: Available online (eLD content is only available in our Reading Rooms) ↗
5. A theoretical study of the effect of a non-aqueous proton donor on electrochemical ammonia synthesis. Issue 7 (1st February 2018) Authors: Zhang, Linan; Mallikarjun Sharada, Shaama; Singh, Aayush R.; Rohr, Brian A.; Su, Yanjing; Qiao, Lijie; Nørskov, Jens K. Journal: Physical chemistry chemical physics Issue: Volume 20:Issue 7(2018) Page Start: 4982 Record Type: Journal Article View Content: Available online (eLD content is only available in our Reading Rooms) ↗
6. Heterobimetallic complexes of IrM (M = FeII, CoII, and NiII) core and bridging 2-(diphenylphosphino)pyridine: electronic structure and electrochemical behavior. Issue 30 (21st July 2020) Authors: Cherepakhin, Valeriy; Hellman, Ashley; Lan, Zhenzhuo; Mallikarjun Sharada, Shaama; Williams, Travis J. Journal: Dalton transactions Issue: Volume 49:Issue 30(2020) Page Start: 10509 Record Type: Journal Article View Content: Available online (eLD content is only available in our Reading Rooms) ↗
7. Linear free energy relationships for transition metal chemistry: case study of CH activation with copper–oxygen complexes. Issue 14 (24th March 2020) Authors: Lan, Zhenzhuo; Mallikarjun Sharada, Shaama Journal: Physical chemistry chemical physics Issue: Volume 22:Issue 14(2020) Page Start: 7155 Record Type: Journal Article View Content: Available online (eLD content is only available in our Reading Rooms) ↗