A Theory for Bioinorganic Chemical Reactivity of Oxometal Complexes and Analogous Oxidants: The Exchange and Orbital-Selection Rules von Usharani, Dandamudi, Janardanan, Deepa, Li, Chunsen, Shaik, Sason

Volltext

Mixed-Valent Metals Bridged by a Radical Ligand:  Fact or Fiction Based on Structure-Oxidation State Correlations von Sarkar, Biprajit, Patra, Srikanta, Fiedler, Jan, Sunoj, Raghavan B, Janardanan, Deepa, Lahiri, Goutam Kumar, Kaim, Wolfgang

Volltext

Degradation mechanism of trans-2-hexenal in the atmosphere von Shashikala, K., Janardanan, Deepa

Volltext

Nonheme iron-oxo and -superoxo reactivities: O2 binding and spin inversion probability matter von Cho, Kyung-Bin, Chen, Hui, Janardanan, Deepa, de Visser, Sam P, Shaik, Sason, Nam, Wonwoo

Volltext

Generation of 3-aminopropanamide and its cluster formation with nucleation precursors- a theoretical exploration von Aswathi, J., Janardanan, Deepa

Volltext

Theoretical and Experimental Evidence for a New Kind of Spin-Coupled Singlet Species: Isomeric Mixed-Valent Complexes Bridged by a Radical Anion Ligand von Sarkar, Biprajit, Patra, Srikanta, Fiedler, Jan, Sunoj, Raghavan B., Janardanan, Deepa, Mobin, Shaikh M., Niemeyer, Mark, Lahiri, Goutam Kumar, Kaim, Wolfgang

Volltext

Density Functional Theory Investigations on Sulfur Ylide Promoted Cyclopropanation Reactions:  Insights on Mechanism and Diastereoselection Issues von Janardanan, Deepa, Sunoj, Raghavan B

Volltext

Catalytic effects on decomposition of formic acid in the atmosphere – A kinetic and thermochemical investigation von Shashikala, K., Ashna, K., Aswathi, J., Janardanan, Deepa

Volltext

Theoretical exploration of the antioxidant activity of honokiol and magnolol von Sharanya, J., Purushothaman, Aiswarya, Janardanan, Deepa, Koley, Kuntal

Volltext

How Does Tunneling Contribute to Counterintuitive H-Abstraction Reactivity of Nonheme Fe(IV)O Oxidants with Alkanes? von Mandal, Debasish, Ramanan, Rajeev, Usharani, Dandamudi, Janardanan, Deepa, Wang, Binju, Shaik, Sason

Volltext

Does the TauD Enzyme Always Hydroxylate Alkanes, While an Analogous Synthetic Non-Heme Reagent Always Desaturates Them? von Usharani, Dandamudi, Janardanan, Deepa, Shaik, Sason

Volltext

The Origins of Dramatic Axial Ligand Effects: Closed-Shell MnVO Complexes Use Exchange-Enhanced Open-Shell States to Mediate Efficient H Abstraction Reactions von Janardanan, Deepa, Usharani, Dandamudi, Shaik, Sason

Volltext

The origins of dramatic axial ligand effects: closed-shell Mn(V)O complexes use exchange-enhanced open-shell States to mediate efficient H abstraction reactions von Janardanan, Deepa, Usharani, Dandamudi, Shaik, Sason

Volltext

Experimental and theoretical studies of azo derivatives in terms of different donors, acceptors and position isomerism: Synthesis, characterization and a combined electronic absorp... von Mohan A, Keerthi, Purushothaman, Aiswarya, Janardanan, Deepa, Haridas, Karickal R.

Volltext

Nonheme Iron Oxidant Formed in the Presence of H2O2 and Acetic Acid Is the Cyclic Ferric Peracetate Complex, Not a Perferryloxo Complex von Wang, Yong, Janardanan, Deepa, Usharani, Dandamudi, Han, Keli, Que, Lawrence, Shaik, Sason

Volltext

Curcumin analogues with improved antioxidant properties: A theoretical exploration von Purushothaman, Aiswarya, Teena Rose, K.S., Jacob, Jesni M., Varatharaj, Rajapandian, Shashikala, K., Janardanan, Deepa

Volltext

Modeling C–H Abstraction Reactivity of Nonheme Fe(IV)O Oxidants with Alkanes: What Role Do Counter Ions Play? von Janardanan, Deepa, Usharani, Dandamudi, Chen, Hui, Shaik, Sason

Volltext

Theoretical exploration of new particle formation from glycol aldehyde in the atmosphere – A temperature-dependent study von Shashikala, K., Niha, P.M., Aswathi, J., Sharanya, J., Janardanan, Deepa

Volltext

Mechanistic insights on the radical scavenging activity of oat avenanthramides von Purushothaman, Aiswarya, Jishnu Gopal, Puthiyottil, Janardanan, Deepa

Volltext

Fundamental Role of Exchange-Enhanced Reactivity in C----H Activation by S=2 Oxo Iron(IV) Complexes von Janardanan, Deepa, Wang, Yong, Schyman, Patric, Que, Lawrence Jr, Shaik, Sason

Volltext