Mini Bharati Ahirwar

14PUBLICATIONS
16CO-AUTHORS
Statistical mechanics in chemistryOrganometallic chemistryTheoretical quantum chemistryBiomolecular modelling and designChemical thermodynamics and energetics
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Publications (14)

|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.

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

Bharti Dehariya, Ayush Shivhare, Mini Bharati Ahirwar

|Jan 04, 2025
Appraisal of the Fragments-In-Fragments Method for the Energetics of Individual Hydrogen Bonds in Molecular Crystals.

Bharti Dehariya, Mini Bharati Ahirwar, Ayush Shivhare

|Sep 30, 2024
Cooperative Noncovalent Interactions Controlling Amine-Catalyzed Aldol Reaction Pathways Catalyzed by the Bifunctional Amino Quaternary Phosphonium Ion.

Akash Sugunan, Mini Bharati Ahirwar, Cherumuttathu H Suresh

|Jul 22, 2024
Molecular Tailoring Approach for the Direct Estimation of Individual Noncovalent Interaction Energies in Molecular Systems.

Mini Bharati Ahirwar, Shridhar R Gadre, Milind M Deshmukh

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Frequent Collaborators

14 joint publications

Milind M Deshmukh

5 joint publications

Shridhar R Gadre

3 joint publications

Ayush Shivhare

2 joint publications

Deepak Patkar