Milind M Deshmukh

29PUBLICATIONS
24CO-AUTHORS
Statistical mechanics in chemistryOrganometallic chemistryChemical thermodynamics and energeticsTheoretical quantum chemistryBiomolecular modelling and design
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Publications (29)

|Jun 24, 2026
Hydrogen Bond Energy Estimation in Large Molecular Clusters via the Method of Synergistic Cyclic Cooperativity: A Software Update H-BEE 2.0.

|May 28, 2026
Sodium borohydride: repurposing from a reducing agent to a reductive cyclization reagent for N-(2-iodoaryl)acrylamides.

|Aug 20, 2025
Energetics of Tetrel, Pnicogen, and Hydrogen Bonds in Microhydrated Clusters of CO2 and N2O.

Thufail M Ismail, Ayush Shivhare, Pookkottu K Sajith

|Jul 27, 2025
Two-Step Hybrid Method for the Energetics of Individual Noncovalent Interactions in Molecular Crystals.

Bharti Dehariya, Ayush Shivhare, Mini Bharati Ahirwar

|Jul 18, 2025
Synergistic cyclic cooperativity governs the strength of chalcogen, pnictogen and tetrel bonds in microhydrated clusters.

Ayush Shivhare, Chandan Kumar Lenka, Bharti Dehariya

|Jan 29, 2025
Cyclic cooperativity contributions determine the hydrogen bond strengths in molecular clusters.

Ayush Shivhare, Bharti Dehariya, Shridhar R Gadre

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Frequent Collaborators

14 joint publications

Mini Bharati Ahirwar

9 joint publications

Shridhar R Gadre

8 joint publications

Ayush Shivhare

5 joint publications

Bharti Dehariya