Shridhar R Gadre

ORCID

Publication Activity (10 Years)

Years Active: 2019-2024
Publications (10 Years): 20

Top Venues

The journal of physical chemistry. A

Journal of computational chemistry

Physical chemistry chemical physics : PCCP

Chemphyschem : a European journal of chemical physics and physical chemistry

Savitribai Phule Pune University

This page only lists publications with an associated author ORCID identifier.

Affiliation History

Savitribai Phule Pune University Aug 01 2016

India

Distinguished Professor :: Interdisciplinary School of Scientific Computing

Publications

Mini Bharati Ahirwar, Shridhar R Gadre, Milind M Deshmukh
Molecular Tailoring Approach for the Direct Estimation of Individual Noncovalent Interaction Energies in Molecular Systems. The journal of physical chemistry. A (2024)
Subodh S Khire, Takahito Nakajima, Shridhar R Gadre
Cluster-in-Cluster Approach for Computing MP2-Level Vibrational Infrared Spectra of Large Molecular Clusters. The journal of physical chemistry. A 128 (18) (2024)
Mini Bharati Ahirwar, Shridhar R Gadre, Milind M Deshmukh
Molecular Tailoring Approach for the Direct Estimation of Individual Noncovalent Interaction Energies in Molecular Systems. The journal of physical chemistry. A 128 (30) (2024)
Subodh S Khire, Takahito Nakajima, Shridhar R Gadre
Cluster-in-Cluster Approach for Computing MP2-Level Vibrational Infrared Spectra of Large Molecular Clusters. The journal of physical chemistry. A (2024)
Puthannur K Anjalikrishna, Shridhar R Gadre, Cherumuttathu H Suresh
Electrostatic Potential for Exploring Electron Delocalization in Infinitenes, Circulenes, and Nanobelts. The Journal of organic chemistry (2023)
Subodh S Khire, Nandini Gattadahalli, Nalini D Gurav, Anmol Kumar, Shridhar R Gadre
Constructing Potential Energy Surface with Correlated Theory for Dipeptides Using Molecular Tailoring Approach. Chemphyschem : a European journal of chemical physics and physical chemistry (2023)
Apurba Nandi, Gabriel Laude, Subodh S Khire, Nalini D Gurav, Chen Qu, Riccardo Conte, Qi Yu, Shuhang Li, Paul L Houston, Shridhar R Gadre, Jeremy O Richardson, Francesco A Evangelista, Joel M Bowman
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)
Mini Bharati Ahirwar, Shridhar R Gadre, Milind M Deshmukh
On the Short-Range Nature of Cooperativity in Hydrogen-Bonded Large Molecular Clusters. The journal of physical chemistry. A (2023)
Mini Bharati Ahirwar, Subodh S Khire, Shridhar R Gadre, Milind M Deshmukh
Hydrogen bond energy estimation (H-BEE) in large molecular clusters: A Python program for quantum chemical investigations. Journal of computational chemistry (2023)
Nityananda Sahu, Subodh S Khire, Shridhar R Gadre
Combining fragmentation method and high-performance computing: Geometry optimization and vibrational spectra of proteins. The Journal of chemical physics 159 (4) (2023)
Subodh S Khire, Nalini D Gurav, Apurba Nandi, Shridhar R Gadre
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 126 (8) (2022)
Subodh S Khire, Shridhar R Gadre
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)
Mini Bharati Ahirwar, Nalini D Gurav, Shridhar R Gadre, Milind M Deshmukh
Hydration shell model for expeditious and reliable individual hydrogen bond energies in large water clusters. Physical chemistry chemical physics : PCCP 24 (25) (2022)
Mini Bharati Ahirwar, Nalini D Gurav, Shridhar R Gadre, Milind M Deshmukh
Molecular Tailoring Approach for Estimating Individual Intermolecular Interaction Energies in Benzene Clusters. The journal of physical chemistry. A 125 (28) (2021)
Puthannur K Anjalikrishna, Shridhar R Gadre, Cherumuttathu H Suresh
Antiaromaticity-Aromaticity Interplay in Fused Benzenoid Systems Using Molecular Electrostatic Potential Topology. The journal of physical chemistry. A 125 (27) (2021)
Deepak Patkar, Mini Bharati Ahirwar, Shridhar R Gadre, Milind M Deshmukh
Unusually Large Hydrogen-Bond Cooperativity in Hydrogen Fluoride Clusters, (HF)n, n = 3 to 8, Revealed by the Molecular Tailoring Approach. The journal of physical chemistry. A 125 (40) (2021)
Mini Bharati Ahirwar, Shridhar R Gadre, Milind M Deshmukh
Direct and Reliable Method for Estimating the Hydrogen Bond Energies and Cooperativity in Water Clusters, Wn, n = 3 to 8. The journal of physical chemistry. A 124 (33) (2020)
Prateek Ahuja, Mohammad Molayem, Shridhar R Gadre
Electrostatics-Assisted Building-Up Procedure for Capturing Energy Minima of Metal Clusters: Test Case of Agn Clusters. The journal of physical chemistry. A 123 (36) (2019)
Puthannur K Anjalikrishna, Cherumuttathu H Suresh, Shridhar R Gadre
Electrostatic Topographical Viewpoint of π-Conjugation and Aromaticity of Hydrocarbons. The journal of physical chemistry. A 123 (46) (2019)
Subodh S Khire, Shridhar R Gadre
Pragmatic Many-Body Approach for Economic MP2 Energy Estimation of Molecular Clusters. The journal of physical chemistry. A 123 (23) (2019)

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Publication Activity (10 Years)

Top Topics

Top Venues

Shridhar R Gadre