| Direct and Reliable Method for Estimating the Hydrogen Bond Energies and Cooperativity in Water Clusters, Wn, n = 3 to 8 MB Ahirwar, SR Gadre, MM Deshmukh The Journal of Physical Chemistry A 124 (33), 6699-6706, 2020 | 45 | 2020 |
| Unusually Large Hydrogen-Bond Cooperativity in Hydrogen Fluoride Clusters, (HF)n, n = 3 to 8, Revealed by the Molecular Tailoring Approach D Patkar, MB Ahirwar, SR Gadre, MM Deshmukh The Journal of Physical Chemistry A 125 (40), 8836-8845, 2021 | 25 | 2021 |
| Appraisal of individual hydrogen bond strengths and cooperativity in ammonia clusters via a molecular tailoring approach MB Ahirwar, D Patkar, I Yadav, MM Deshmukh Physical Chemistry Chemical Physics 23 (32), 17224-17231, 2021 | 24 | 2021 |
| Molecular tailoring approach for estimating individual intermolecular interaction energies in benzene clusters MB Ahirwar, ND Gurav, SR Gadre, MM Deshmukh The Journal of Physical Chemistry A 125 (28), 6131-6140, 2021 | 23 | 2021 |
| Assessment of hydrogen bond strengths and cooperativity in self-and cross-associating cyclic (HF) m (H 2 O) n (m+ n= 2 to 8) clusters D Patkar, MB Ahirwar, SP Shrivastava, MM Deshmukh New Journal of Chemistry 46 (5), 2368-2379, 2022 | 18 | 2022 |
| Energetic Ordering of Hydrogen Bond Strengths in Methanol‐Water Clusters: Insights via Molecular Tailoring Approach D Patkar, MB Ahirwar, MM Deshmukh ChemPhysChem 23 (10), e202200143, 2022 | 16 | 2022 |
| Hydration shell model for expeditious and reliable individual hydrogen bond energies in large water clusters MB Ahirwar, ND Gurav, SR Gadre, MM Deshmukh Physical Chemistry Chemical Physics 24 (25), 15462-15473, 2022 | 15 | 2022 |
| A Tug of War between the Self‐and Cross‐associating Hydrogen Bonds in Neutral Ammonia‐Water Clusters: Energetic Insights by Molecular Tailoring Approach D Patkar, M Bharati Ahirwar, MM Deshmukh ChemPhysChem 23 (24), e202200476, 2022 | 12 | 2022 |
| Two-Step ONIOM Method for the Accurate Estimation of Individual Hydrogen Bond Energy in Large Molecular Clusters MB Ahirwar, MM Deshmukh The Journal of Physical Chemistry A 127 (5), 1219-1232, 2023 | 11 | 2023 |
| Friedel‐Crafts‐Type Reaction of (Het) Arenes with Aldehydes/Ketones under Acid‐Free Conditions using Neutral Ionic Liquid: A Convenient Routes to bis (Indolyl) methanes and Beyond S Kumar, SK Rastogi, A Singh, M Bharati Ahirwar, MM Deshmukh, ... Asian Journal of Organic Chemistry 11 (3), e202100749, 2022 | 8 | 2022 |
| 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 … SK Rastogi, R Singh, S Kumar, AK Mishra, MB Ahirwar, MM Deshmukh, ... Organic & Biomolecular Chemistry 21 (4), 838-845, 2023 | 7 | 2023 |
| Hydrogen bond energy estimation (H‐BEE) in large molecular clusters: A Python program for quantum chemical investigations MB Ahirwar, SS Khire, SR Gadre, MM Deshmukh Journal of Computational Chemistry 45 (5), 274-283, 2024 | 6 | 2024 |
| On the Short-Range Nature of Cooperativity in Hydrogen-Bonded Large Molecular Clusters MB Ahirwar, SR Gadre, MM Deshmukh The Journal of Physical Chemistry A 127 (20), 4394-4406, 2023 | 6 | 2023 |
| Molecular Tailoring Approach for the Direct Estimation of Individual Noncovalent Interaction Energies in Molecular Systems MB Ahirwar, SR Gadre, MM Deshmukh The Journal of Physical Chemistry A 128 (30), 6099-6115, 2024 | 5 | 2024 |
| Fragments‐in‐fragments method for efficient and reliable estimates of individual hydrogen bond energies in large molecular clusters MB Ahirwar, MM Deshmukh Journal of Computational Chemistry 44 (23), 1861-1874, 2023 | 4 | 2023 |
| Synthesis, structural, and DFT studies of mixed ligand copper (II) malonates MS Deshpande, SM Morajkar, MB Ahirwar, MM Deshmukh, ... Journal of Chemical Sciences 133, 1-17, 2021 | 2 | 2021 |
| Effect of the electronic structure on the robustness of ruthenium (ii) bis-phenanthroline compounds for photodissociation of the co-ligand: synthesis, structural … MS Deshpande, SM Morajkar, BR Srinivasan, MB Ahirwar, ... New Journal of Chemistry 45 (12), 5437-5451, 2021 | 2 | 2021 |
| Appraisal of the Fragments-In-Fragments Method for the Energetics of Individual Hydrogen Bonds in Molecular Crystals B Dehariya, MB Ahirwar, A Shivhare, MM Deshmukh Journal of Computational Chemistry 46 (1), e70008, 2025 | 1 | 2025 |
| Cooperative Noncovalent Interactions Controlling Amine-Catalyzed Aldol Reaction Pathways Catalyzed by the Bifunctional Amino Quaternary Phosphonium Ion A Sugunan, MB Ahirwar, CH Suresh, MM Deshmukh, G Rajendar The Journal of Organic Chemistry 89 (20), 14851-14863, 2024 | | 2024 |
| Development of quantum chemical methods for the energetics of individual noncovalent interactions in molecular clusters MB Ahirwar Dr. Harisingh Gour Vishwavidyalaya, https://shodhganga.inflibnet.ac.in …, 2023 | | 2023 |
Milind M. DeshmukhPh.D. Associate Professor, University of Delhi, DelhiVerified email at dhsgsu.edu.in
