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Shridhar R. Gadre, Ph.D.

Affiliations: 
1980- Chemistry University of Pune 
Area:
Quantum Chemistry, Theoretical Chemistry, Computational Chemistry
Website:
http://home.iitk.ac.in/~gadre/
Google:
"Shridhar Gadre"
Mean distance: 39813
 
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Parents

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Palliakaranai Thirumalai Narasimhan grad student 1978 IIT Kanpur
Robert G. Parr post-doc 1978-1979 UNC Chapel Hill
Robert Louis Matcha post-doc 1979-1980 University of Houston

Children

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Balanarayan Pananghat grad student
Cherumuttathu Hariharan Suresh grad student IIT Kanpur
K. V. Jovan Jose grad student 2003-2009 IIT KANPUR
Ankur Kanti Guha grad student 2015-2015 IIT Kanpur, India
Apurba Nandi grad student 2013-2016 Indian Inst. of Technology - Kanpur
Anmol Kumar grad student 2011-2017 IIT Kanpur
Rahul Verma research scientist 2015-2016 Indian Institute of Technology, Kanpur

Collaborators

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BETA: Related publications

Publications

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Anjalikrishna PK, Gadre SR, Suresh CH. (2023) Topology of electrostatic potential and electron density reveals a covalent to non-covalent carbon-carbon bond continuum. Physical Chemistry Chemical Physics : Pccp
Ahirwar MB, Gadre SR, Deshmukh MM. (2023) On the Short-Range Nature of Cooperativity in Hydrogen-Bonded Large Molecular Clusters. The Journal of Physical Chemistry. A
Nandi A, Laude G, Khire SS, et al. (2023) 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. 145: 9655-9664
Anjalikrishna PK, Gadre SR, Suresh CH. (2023) Electrostatic Potential for Exploring Electron Delocalization in Infinitenes, Circulenes, and Nanobelts. The Journal of Organic Chemistry
Khire SS, Gattadahalli N, Gurav ND, et al. (2023) Constructing Potential Energy Surface With Correlated Theory For Dipeptides Using Molecular Tailoring Approach. Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry
Ahirwar MB, Gurav ND, Gadre SR, et al. (2022) Hydration shell model for expeditious and reliable individual hydrogen bond energies in large water clusters. Physical Chemistry Chemical Physics : Pccp. 24: 15462-15473
Khire SS, Gadre SR. (2022) 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
Khire SS, Gurav ND, Nandi A, et al. (2022) 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
Patkar D, Ahirwar MB, Gadre SR, et al. (2021) Unusually Large Hydrogen-Bond Cooperativity in Hydrogen Fluoride Clusters, (HF), = 3 to 8, Revealed by the Molecular Tailoring Approach. The Journal of Physical Chemistry. A. 125: 8836-8845
Ahirwar MB, Gurav ND, Gadre SR, et al. (2021) Molecular Tailoring Approach for Estimating Individual Intermolecular Interaction Energies in Benzene Clusters. The Journal of Physical Chemistry. A
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