Shridhar R Gadre

22PUBLICATIONS
20CO-AUTHORS
Statistical mechanics in chemistryTheoretical quantum chemistryChemical thermodynamics and energeticsBiomolecular modelling and designBiologically active molecules
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Publications (22)

|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.

|Jun 23, 2025
Assisting calculation of vibrational circular dichroism spectra by molecular tailoring approach.

Simran Sharma, Subodh S Khire, Shridhar R Gadre

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

Ayush Shivhare, Bharti Dehariya, Shridhar R Gadre

|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

|Apr 29, 2024
Cluster-in-Cluster Approach for Computing MP2-Level Vibrational Infrared Spectra of Large Molecular Clusters.

Subodh S Khire, Takahito Nakajima, Shridhar R Gadre

|Nov 13, 2023
REAlgo: Rapid and efficient algorithm for estimating MP2/CCSD energy gradients for large molecular clusters.

Subodh S Khire, Takahito Nakajima, Shridhar R Gadre

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Frequent Collaborators

9 joint publications

Milind M Deshmukh

7 joint publications

Subodh S Khire

5 joint publications

Mini Bharati Ahirwar

3 joint publications

Cherumuttathu H Suresh