Electrostatic Potential Topology for Probing Molecular Structure, Bonding and Reactivity
Gadre, Shridhar R., Suresh, Cherumuttathu H., Mohan, Neetha
Published in Molecules (Basel, Switzerland) (01.06.2021)
Published in Molecules (Basel, Switzerland) (01.06.2021)
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Journal Article
Branched‐Tail Lipid Nanoparticles Potently Deliver mRNA In Vivo due to Enhanced Ionization at Endosomal pH
Hajj, Khalid A., Ball, Rebecca L., Deluty, Sarah B., Singh, Shridhar R., Strelkova, Daria, Knapp, Christopher M., Whitehead, Kathryn A.
Published in Small (Weinheim an der Bergstrasse, Germany) (01.02.2019)
Published in Small (Weinheim an der Bergstrasse, Germany) (01.02.2019)
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Journal Article
Direct and Reliable Method for Estimating the Hydrogen Bond Energies and Cooperativity in Water Clusters, W n , n = 3 to 8
Ahirwar, Mini Bharati, Gadre, Shridhar R, Deshmukh, Milind M
Published in The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory (20.08.2020)
Published in The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory (20.08.2020)
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Journal Article
Molecular Tailoring Approach for the Direct Estimation of Individual Noncovalent Interaction Energies in Molecular Systems
Ahirwar, Mini Bharati, Gadre, Shridhar R., Deshmukh, Milind M.
Published in The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory (01.08.2024)
Published in The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory (01.08.2024)
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Journal Article
On the synergetic effects of cyclic cooperativity in water clusters
Shivhare, Ayush, Dehariya, Bharti, Gadre, Shridhar R., Deshmukh, Milind M.
Published in Physical chemistry chemical physics : PCCP (14.08.2024)
Published in Physical chemistry chemical physics : PCCP (14.08.2024)
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Journal Article
Cluster-in-Cluster Approach for Computing MP2-Level Vibrational Infrared Spectra of Large Molecular Clusters
Khire, Subodh S., Nakajima, Takahito, Gadre, Shridhar R.
Published in The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory (09.05.2024)
Published in The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory (09.05.2024)
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Journal Article
On the Short-Range Nature of Cooperativity in Hydrogen-Bonded Large Molecular Clusters
Ahirwar, Mini Bharati, Gadre, Shridhar R., Deshmukh, Milind M.
Published in The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory (25.05.2023)
Published in The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory (25.05.2023)
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Journal Article
Electrostatics for probing lone pairs and their interactions
Bijina, Padinjare Veetil, Suresh, Cherumuttathu H., Gadre, Shridhar R.
Published in Journal of computational chemistry (05.04.2018)
Published in Journal of computational chemistry (05.04.2018)
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Journal Article
Electrostatics-Assisted Building-Up Procedure for Capturing Energy Minima of Metal Clusters: Test Case of Agn Clusters
Ahuja, Prateek, Molayem, Mohammad, Gadre, Shridhar R
Published in The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory (12.09.2019)
Published in The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory (12.09.2019)
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Journal Article
Molecular electrostatics for probing lone pair―π interactions
MOHAN, Neetha, SURESH, Cherumuttathu H, KUMAR, Anmol, GADRE, Shridhar R
Published in Physical chemistry chemical physics : PCCP (14.11.2013)
Published in Physical chemistry chemical physics : PCCP (14.11.2013)
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Journal Article
Electrostatics-Assisted Building-Up Procedure for Capturing Energy Minima of Metal Clusters: Test Case of Ag n Clusters
Ahuja, Prateek, Molayem, Mohammad, Gadre, Shridhar R
Published in The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory (12.09.2019)
Published in The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory (12.09.2019)
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Journal Article
Direct and Reliable Method for Estimating the Hydrogen Bond Energies and Cooperativity in Water Clusters, Wn, n = 3 to 8
Ahirwar, Mini Bharati, Gadre, Shridhar R, Deshmukh, Milind M
Published in The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory (20.08.2020)
Published in The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory (20.08.2020)
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Journal Article