Shridhar R. Gadre

Savitribai Phule Pune University — India

Physics and Astronomy · Physical Sciences

56h-index11.1kcitations290works5.72yr avg
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Research Topics

Advanced Chemical Physics Studies(161), Crystallography and molecular interactions(81), Spectroscopy and Quantum Chemical Studies(59), Atomic and Molecular Physics(36), Chemical Thermodynamics and Molecular Structure(33)

Publications290 total

Tailoring approach for exploring vibrational features of large molecular systems: A short review
Journal of Chemical Sciences·2025· 2 cited
Assisting calculation of vibrational circular dichroism spectra by molecular tailoring approach
The Journal of Chemical Physics·2025· 2 cited
Samuel Francis Boys
Resonance·2025
Cyclic cooperativity contributions determine the hydrogen bond strengths in molecular clusters
Physical Chemistry Chemical Physics·2025· 7 cited
Molecular Tailoring Approach for the Direct Estimation of Individual Noncovalent Interaction Energies in Molecular Systems
The Journal of Physical Chemistry A·2024· 19 cited
Cluster-in-Cluster Approach for Computing MP2-Level Vibrational Infrared Spectra of Large Molecular Clusters
The Journal of Physical Chemistry A·2024· 5 cited
On the synergetic effects of cyclic cooperativity in water clusters
Physical Chemistry Chemical Physics·2024· 5 cited
REAlgo: Rapid and efficient algorithm for estimating MP2/CCSD energy gradients for large molecular clusters
The Journal of Chemical Physics·2023· 5 cited
Hydrogen bond energy estimation (<scp>H‐BEE</scp>) in large molecular clusters: A Python program for quantum chemical investigations
Journal of Computational Chemistry·2023· 10 citedOpen Access
Combining fragmentation method and high-performance computing: Geometry optimization and vibrational spectra of proteins
The Journal of Chemical Physics·2023· 7 cited
On the Short-Range Nature of Cooperativity in Hydrogen-Bonded Large Molecular Clusters
The Journal of Physical Chemistry A·2023· 13 cited
Ring-Polymer Instanton Tunneling Splittings of Tropolone and Isotopomers using a Δ-Machine Learned CCSD(T) Potential: Theory and Experiment Shake Hands
Journal of the American Chemical Society·2023· 29 citedOpen Access
Electrostatic Potential for Exploring Electron Delocalization in Infinitenes, Circulenes, and Nanobelts
The Journal of Organic Chemistry·2023· 11 cited
Constructing Potential Energy Surface with Correlated Theory for Dipeptides Using Molecular Tailoring Approach
ChemPhysChem·2023· 5 cited
Topology of electrostatic potential and electron density reveals a covalent to non-covalent carbon–carbon bond continuum
Physical Chemistry Chemical Physics·2023· 6 cited
Electrostatic Potential and Tailoring Approach for Exploring Molecular Clusters
Elsevier eBooks·2022· 1 cited
Friedrich Hund: A Pioneer of Quantum Chemistry (1896–1997)
Resonance·2022· 1 cited
DAMQT 3: Advanced suite for the analysis of molecular density and related properties in large systems
Computer Physics Communications·2022· 6 citedOpen Access
Development and testing of an algorithm for efficient MP2/CCSD(T) energy estimation of molecular clusters with the 2–body approach
Journal of Computational Chemistry·2022· 2 cited
Enabling Rapid and Accurate Construction of CCSD(T)-Level Potential Energy Surface of Large Molecules Using Molecular Tailoring Approach
The Journal of Physical Chemistry A·2022· 13 citedOpen Access
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Frequent Co-authors

Cherumuttathu H. Suresh(14), V. Ganesh(5), Anant D. Kulkarni(4), Libero J. Bartolotti(4), K. Ramesh Babu(4), Milind M. Deshmukh(4), Anuja P. Rahalkar(4), Rajeev D. Bendale(3), Rajendra N. Shirsat(3), Indira H. Shrivastava(3), Neetha Mohan(3), Robert G. Parr(2), Sudhir A. Kulkarni(2), Nityananda Sahu(2), Anmol Kumar(2), K. Sundararajan(2), K. S. Viswanathan(2), Nobuaki Koga(2), Shruti Maheshwary(1), Nitin Patel(1)