Subodh S Khire

10PUBLICATIONS
9CO-AUTHORS
Statistical mechanics in chemistryRadiation and matterBiomolecular modelling and designTheoretical quantum chemistry
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Publications (10)

|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 11, 2026
Extending the Molecular Tailoring Approach for Reliable and Efficient Nuclear Magnetic Resonance Spectral Calculations.

|Dec 03, 2025
Efficient High-Level Quantum Chemical Exploration of Clathrate Hydrates via Fragmentation.

Subodh S Khire, Nityananda Sahu, Takahito Nakajima

|Nov 24, 2025
Efficient Simulation of Raman Optical Activity Spectra via Molecular Tailoring Approach.

Simran Sharma, Subodh S Khire, Nityananda Sahu

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

Simran Sharma, Subodh S Khire, Shridhar R Gadre

|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

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Frequent Collaborators

7 joint publications

Shridhar R Gadre

5 joint publications

Nityananda Sahu

2 joint publications

Mini Bharati Ahirwar

2 joint publications

Milind M Deshmukh