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Kalaiselvan, A.; Dhamija, S.; Aswathi, C.; De, A. K.; Gokulnath, S., Planar hexaphyrin-like macrocycles turning into bis-BODIPYs with box-shaped structures exhibiting excitonic coupling. Chemical Communications 2021, 57 (87), 11485-11488.

Kalaiselvan, A.; Spergen, A.; Krishna, I.S. V.; Reddy, V. S.; Gokulnath, S., Double intramolecular hydrogen transfer assisted dual emission in a carbazole-embedded porphyrin- like macrocycle. Chemical Communications 2021,57 (36), 4420-4423.

Kalyanakrishnan, A. V.; Joshy, A.; Arya, A.K.; Kaliyamoorthy, A., Synthesis of Various α-Substituted Alkenyl Sulfoxides from Alkynes and β-Sulfinyl Esters. ChemistrySelect 2021, 6 (48), 14054-14059.

Khazeber, R.; Sureshan, K. M., Topochemical Ene–Azide Cycloaddition Reaction. Angewandte Chemie International Edition 2021, 60 (47), 24875- 24881.

Krishnakumar, R.; James, A.; Swathi, R. S., Metal-Decorated Crown Ether-Embedded Graphene Nanomeshes for Enhanced Molecular Adsorption. Advanced Theory and Simulations 2021, 4 (10), 2100202.

Kumar Hota, S.; Jinan, D.; Prakash Panda, S.; Pan, R.; Sahoo, B.; Murarka, S., Organophotoredox-Catalyzed Late-Stage Functionalization of Heterocycles. Asian Journal of Organic Chemistry 2021, 10 (8), 1848-1860.

M. J, C.; Nag, P.; Vennapusa, S. R., Surface hopping dynamics reveal ultrafast triplet generation promoted by S1–T2–T1 spin- vibronic coupling in 2-mercaptobenzothiazole. Physical Chemistry Chemical Physics 2021, 23 (36), 20183-20192.

M.C. Madhusudhanan, H. Balan, D. B. Werz, K.M. Sureshan*, Azide···Oxygen Interaction: A Crystal Engineering Tool for Conformational Locking. Angew. Chem. Int. Ed. 2021, 60, 22797-22803.

M.J, C.; Isukapalli, S. V. K.; Vennapusa, S. R.,Spin-vibronic coupling induced intersystem crossing in tetraphenylporphyrin: Relevance in the photosensitization of prolycopene. Journal of Photochemistry and Photobiology A: Chemistry 2021, 412, 113223.

Madhu, M.; Ramakrishnan, R.; Vijay, V.; Hariharan, M., Free Charge Carriers in Homo-Sorted π-Stacks of Donor–Acceptor Conjugates. Chemical Reviews 2021, 121 (13), 8234-8284.

Melekamburath, A.; James, A.; Rajeevan, M.;John, C.; Swathi, R. S., In pursuit of accurate interlayer potentials for twisted bilayer graphynes. Physical Chemistry Chemical Physics 2021, 23 (47), 27031-27041.

Mohanrao, R.; Manorama, R.; Ganguli, S.; Madhusudhanan, M. C.; Bhandari, R.; Sureshan, K. M., Novel Substrates for Kinases Involved in the Biosynthesis of Inositol Pyrophosphates and Their Enhancement of ATPase Activity of a Kinase. Molecules 2021, 26 (12).

Mukherjee, D.; Nag, P.; Shteinman, A. A.; Vennapusa, S. R.; Mandal, U.; Mitra, M.,Catechol oxidation promoted by bridging phenoxo moieties in a bis(μ-phenoxo)-bridged dicopper(ii) complex. RSC Advances 2021, 11 (37), 22951-22959.

Mukherjee, S.; Jayakumar, D.; Mandal, S., Insight into the Size Evolution Transformation Process of the fcc-Based Au28(SR)20 Nanocluster. The Journal of Physical Chemistry C 2021, 125 (22), 12149-12154.

Mukhopadhyay, A.; Jindal, S.; Maka, V. K.; Moorthy, J. N., Contrasting Photochromic and Acidochromic Behaviors of Pyridyl- and Pyrimidylethynylated Mono- and Bis- Benzopyrans. ACS Omega 2021, 6 (32), 21113- 21124.

Murugesan, T.; Sivarajan, C.; Jayakumari, C. M.; Singh, R. K.; Vennapusa, S. R.; Kaliyamoorthy, A., Palladium-Catalyzed Direct C2-Biarylation of Indoles. Journal of Organic Chemistry 2021, 86 (15), 10838-10851.

Murugesan, V.; Ganguly, A.; Karthika, A;Rasappan, R., C–H Alkylation of Aldehydes by Merging TBADT Hydrogen Atom Transfer with Nickel Catalysis. Organic Letters 2021, 23 (14), 5389-5393.

Nag, P.; Anand, N.; Vennapusa, S. R., Ultrafast nonadiabatic excited-state intramolecular proton transfer in 3-hydroxychromone: A surface hopping approach. The Journal of Chemical Physics 2021, 155 (9), 094301.

Nath, A.; Asha, K. S.; Mandal, S., Conductive Metal-Organic Frameworks: Electronic Structure and Electrochemical Applications. Chemistry – A European Journal 2021, 27 (45), 11482-11538.

Nizar, N. S. S.; Sujith, M.; Swathi, K.; Sissa, C.; Painelli, A.; Thomas, K. G., Emergent chiroptical properties in supramolecular and plasmonic assemblies. Chemical Society Reviews 2021, 50 (20), 11208-11226.

Oliyantakath Hassan, M. S.; Somasundaran, S. M.; Abdul Shukkoor, M. B.; Ayyappan, S.; Abdul Vahid, A.; Vijayan, V., Examining the Transient Dark State in Protein-Quantum Dot Interaction by Relaxation-Based Solution NMR. Journal of Physical Chemistry B 2021, 125 (36), 10119-10125.

Pankajakshan, A.; Ravarikkandy, A.; Ratheesh, B. P.; Maman, M. P.; Mandal, S., Thiol decorated defective metal–organic frameworks embedded with palladium nanoparticles for efficient Cr(vi) reduction. Inorganic Chemistry Frontiers 2021, 8 (23), 5093-5099.

Pathan, J. R.; Sureshan, K. M., Solvent-Free and Catalyst-Free Synthesis of Cross-Linkable Polyfumaramides via Topochemical Azide- Alkyne Cycloaddition Polymerization. ACS Sustainable Chemistry & Engineering 2021, 9 (29), 9871-9878.

R. S, L.; Vennapusa, S. R., Formation and decay of intersystem crossing receiver triplet state in terthiophene and quaterthiophene. International Journal of Quantum Chemistry 2021, 121 (15), e26677.