mmdeshmukh

Dr. Milind M. Deshmukh

(Associate Professor)

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Dr. Milind M. Deshmukh received his M.Sc. and Ph.D. from the Department of Chemistry, Savitribai Phule Pune University (formerly known as University of Pune), Pune, India, under the supervision of Professor Shridhar R. Gadre. Subsequently, he moved to Kyoto University, Kyoto, Japan to work as Specially Promoted Postdoctoral Research Fellow in the laboratory of Professor Shigeyoshi Sakaki. Since January 2025, he has been working as an Associate Professor in the Department of Chemistry, University of Delhi, Delhi. Prior to joining Delhi University, he served as an Assistant Professor in the Department of Chemistry, Dr. Harisingh Gour Vishwavidyalaya (A Central University), Sagar, India wherein, he successfully guided 5 research scholars for their Ph.D. degree. His research interests are : (i) Development of linear-scaling methods for the treatment of non-covalent interactions in molecules, complexes, clusters, molecular crystals, and large extended systems: (ii) Understanding of mechanism of transition metal-catalysed organic transformation and small molecule activation. (iii) Organometallic chemistry of transition-metal complexes. He has published over 55 research articles in peer-reviewed international/national journals.

Recent Publications:

  1.  Shivhare, A.; Dehariya, B.; Gadre, S. R. Deshmukh, M. M.* Cyclic Cooperativity Determines the Individual Hydrogen Bond Strength in Molecular Clusters. Phys. Chem. Chem. Phys. 2025, 27 (7), 3661-362. https://doi.org/10.1039/D4CP04741A
  2. Dehariya, B.; Ahirwar, M. B.; Shivhare, A.; Deshmukh, M. M.* Appraisal of the Fragments-in-Fragments Method for the Estimation of Individual Noncovalent Interaction Energy in Molecular Crystals. J. Comput. Chem. 2025, 46 (1), e70008. https://doi.org/10.1002/jcc.70008
  3. Ramya, P. K., Shivhare, A.; Deshmukh, M. M.; Suresh, C. H.* From Loose to Tight: Unveiling Bond Stretch Isomerism in π-Complexes of Li, Na and K. Phys. Chem. Chem. Phys. 2024, 26 (42), 27054-27065. https://doi.org/10.1039/D4CP03371J
  4. Sugunan, A.; Ahirwar, M. B.; Suresh, C. H.; Deshmukh, M. M.;* Goreti, R.* Cooperative Noncovalent Interactions Controlling Amine-Catalyzed Aldol Reaction Pathways Catalyzed by Bifunctional Amino Quaternary Phosphonium Ion. J. Org. Chem. 2024, 89 (20), 14851–14863. https://doi.org/10.1021/acs.joc.4c01635
  5. Shivhare, A.; Dehariya, B.; Gadre, S. R.; Deshmukh, M. M.* On the Synergetic Effects of Cyclic Cooperativity in Water Clusters. Phys. Chem. Chem. Phys., 2024, 26 (32), 21332-21336. https://doi.org/10.1039/D4CP02580F
  6. Ahirwar, M. B.; Gadre, S. R.; Deshmukh, M. M.* Molecular Tailoring Approach for the Direct Estimation of Individual Non-covalent Interaction Energies in Molecular Systems. J. Phys. Chem. A 2024, 128 (30),6099-6115. https://doi.org/10.1021/acs.jpca.4c01176
  7. Ismail, T. M.; Patkar, D.; Sajith, P. K.;* Deshmukh, M. M.* Hydrogen Bond Strengths in Microhydrated Clusters of HNO and HONO: Energetic Insights via Molecular Tailoring Approach. New. J. Chem. 2024, 48 (25), 11591-11605. https://doi.org/10.1039/D4NJ02163K
  8. Ahirwar, M. B.; Khire, S. S.; Gadre, S. R.; Deshmukh, M. M.* Hydrogen Bond Energy Estimation (H-BEE) in Large Molecular Clusters: A Python Program for Quantum Chemical Investigations.  J. Comput. Chem., 2024, 45 (5), 274-283. https://doi.org/10.1002/jcc.27237
  9. Ismail, T. M.; Patkar, D.; Sajith, P. K.; * Deshmukh, M. M.* Interplay between Hydrogen, Pnicogen and Chalcogen Bonding in X∙∙∙(H2O)n=1-5 (X = NO, NO+, and NO–) Complexes: Energetic Insights via Molecular Tailoring Approach. J. Phys. Chem. A, 2023, 127 (49), 10360-10374.  https://doi.org/10.1021/acs.jpca.3c04181
  10. Tripathi, S.; Kumar, M.; Shivhare, A.; Kant, R.; Deshmukh, M. M.;*  Srivastava , A. K.* Palladium(II)-Catalyzed Decarboxylative Difunctionalization of Alkynoic Acids to Access (E)-β-Sulfonylacrylamides and DFT Study Organic Letters 2023,25 (36),6638-6642. https://doi.org/10.1021/acs.orglett.3c02415