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Physical Chemistry Chemical Physics : PCCP
|
June 17, 2022
Hydration shell model for expeditious and reliable individual hydrogen bond energies in large water clusters
Mini Bharati Ahirwar, Nalini D Gurav, Shridhar R Gadre, et al.
Journal of Computational Chemistry
|
October 4, 2023
Hydrogen bond energy estimation (H-BEE) in large molecular clusters: A Python program for quantum chemical investigations
Mini Bharati Ahirwar, Subodh S Khire, Shridhar R Gadre, et al.
The Journal of Physical Chemistry. A
|
March 14, 2012
Hydrogen bond energies and cooperativity in substituted calix[n]arenes (n = 4, 5)
Jayshree K Khedkar, Milind M Deshmukh, Shridhar R Gadre, et al.
The Journal of Physical Chemistry. A
|
July 12, 2021
Molecular Tailoring Approach for Estimating Individual Intermolecular Interaction Energies in Benzene Clusters
Mini Bharati Ahirwar, Nalini D Gurav, Shridhar R Gadre, et al.
The Journal of Organic Chemistry
|
September 30, 2024
Cooperative Noncovalent Interactions Controlling Amine-Catalyzed Aldol Reaction Pathways Catalyzed by the Bifunctional Amino Quaternary Phosphonium Ion
Akash Sugunan, Mini Bharati Ahirwar, Cherumuttathu H Suresh, et al.
Organic Letters
|
September 6, 2023
Palladium(II)-Catalyzed Decarboxylative Difunctionalization of Alkynoic Acids To Access (<i>E</i>)-β-Sulfonylacrylamides and DFT Study
Shashank Tripathi, Monty Kumar, Ayush Shivhare, et al.
Journal of Computational Chemistry
|
June 24, 2026
Hydrogen Bond Energy Estimation in Large Molecular Clusters via the Method of Synergistic Cyclic Cooperativity: A Software Update H-BEE 2.0
Ayush Shivhare, Mini Bharati Ahirwar, Subodh S Khire, et al.
Chemical Communications (Cambridge, England)
|
May 28, 2026
Sodium borohydride: repurposing from a reducing agent to a reductive cyclization reagent for <i>N</i>-(2-iodoaryl)acrylamides
Naveen Sihag, Mini Bharati Ahirwar, Ankit Kumar, et al.
The Journal of Organic Chemistry
|
December 1, 2023
Green Synthesis of Electrophilic Alkenes Using a Magnesium Catalyst under Aqueous Conditions and Mechanistic Insights by Density Functional Theory
Pankaj Lal Kalar, Kavita Jain, Swatantra Agrawal, et al.
Organic & Biomolecular Chemistry
|
January 5, 2023
One-pot C-C, C-N, and C-S bond construction for synthesis of 3-sulfenylindoles directly from unactivated anilines involving dual palladium catalysis and mechanistic insights from DFT
Sumit K Rastogi, Richa Singh, Santosh Kumar, et al.
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of 4
Search research articles
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Showing results (31-40 of 40) with videos related to
Sort By:
Page
of 4
You have reached the last page of results.
This site can display upto 40 results.
Physical Chemistry Chemical Physics : PCCP
|
June 17, 2022
Hydration shell model for expeditious and reliable individual hydrogen bond energies in large water clusters
Mini Bharati Ahirwar, Nalini D Gurav, Shridhar R Gadre, et al.
Journal of Computational Chemistry
|
October 4, 2023
Hydrogen bond energy estimation (H-BEE) in large molecular clusters: A Python program for quantum chemical investigations
Mini Bharati Ahirwar, Subodh S Khire, Shridhar R Gadre, et al.
The Journal of Physical Chemistry. A
|
March 14, 2012
Hydrogen bond energies and cooperativity in substituted calix[n]arenes (n = 4, 5)
Jayshree K Khedkar, Milind M Deshmukh, Shridhar R Gadre, et al.
The Journal of Physical Chemistry. A
|
July 12, 2021
Molecular Tailoring Approach for Estimating Individual Intermolecular Interaction Energies in Benzene Clusters
Mini Bharati Ahirwar, Nalini D Gurav, Shridhar R Gadre, et al.
The Journal of Organic Chemistry
|
September 30, 2024
Cooperative Noncovalent Interactions Controlling Amine-Catalyzed Aldol Reaction Pathways Catalyzed by the Bifunctional Amino Quaternary Phosphonium Ion
Akash Sugunan, Mini Bharati Ahirwar, Cherumuttathu H Suresh, et al.
Organic Letters
|
September 6, 2023
Palladium(II)-Catalyzed Decarboxylative Difunctionalization of Alkynoic Acids To Access (<i>E</i>)-β-Sulfonylacrylamides and DFT Study
Shashank Tripathi, Monty Kumar, Ayush Shivhare, et al.
Journal of Computational Chemistry
|
June 24, 2026
Hydrogen Bond Energy Estimation in Large Molecular Clusters via the Method of Synergistic Cyclic Cooperativity: A Software Update H-BEE 2.0
Ayush Shivhare, Mini Bharati Ahirwar, Subodh S Khire, et al.
Chemical Communications (Cambridge, England)
|
May 28, 2026
Sodium borohydride: repurposing from a reducing agent to a reductive cyclization reagent for <i>N</i>-(2-iodoaryl)acrylamides
Naveen Sihag, Mini Bharati Ahirwar, Ankit Kumar, et al.
The Journal of Organic Chemistry
|
December 1, 2023
Green Synthesis of Electrophilic Alkenes Using a Magnesium Catalyst under Aqueous Conditions and Mechanistic Insights by Density Functional Theory
Pankaj Lal Kalar, Kavita Jain, Swatantra Agrawal, et al.
Organic & Biomolecular Chemistry
|
January 5, 2023
One-pot C-C, C-N, and C-S bond construction for synthesis of 3-sulfenylindoles directly from unactivated anilines involving dual palladium catalysis and mechanistic insights from DFT
Sumit K Rastogi, Richa Singh, Santosh Kumar, et al.
Page
of 4