| Enabling ab initio Hessian and frequency calculations of large molecules AP Rahalkar, V Ganesh, SR Gadre The Journal of Chemical Physics 129 (23), 2008 | 90 | 2008 |
| Ab initio investigation of benzene clusters: Molecular tailoring approach AS Mahadevi, AP Rahalkar, SR Gadre, GN Sastry The Journal of chemical physics 133 (16), 2010 | 82 | 2010 |
| Facilitating minima search for large water clusters at the MP2 level via molecular tailoring JP Furtado, AP Rahalkar, S Shanker, P Bandyopadhyay, SR Gadre The Journal of Physical Chemistry Letters 3 (16), 2253-2258, 2012 | 79 | 2012 |
| Molecular tailoring approach in conjunction with MP2 and RI‐MP2 codes: a comparison with fragment molecular orbital method AP Rahalkar, M Katouda, SR Gadre, S Nagase Journal of computational chemistry 31 (13), 2405-2418, 2010 | 79 | 2010 |
| The predictive power of aromaticity: quantitative correlation between aromaticity and ionization potentials and HOMO–LUMO gaps in oligomers of benzene, pyrrole, furan, and … R Gershoni-Poranne, AP Rahalkar, A Stanger Physical Chemistry Chemical Physics 20 (21), 14808-14817, 2018 | 51 | 2018 |
| Structure, energetics, and reactivity of boric acid nanotubes: a molecular tailoring approach M Elango, V Subramanian, AP Rahalkar, SR Gadre, N Sathyamurthy The Journal of Physical Chemistry A 112 (33), 7699-7704, 2008 | 37 | 2008 |
| Molecular tailoring approach for exploring structures, energetics and properties of clusters SR Gadre, KV Jovan Jose, AP Rahalkar Journal of Chemical Sciences 122, 47-56, 2010 | 33 | 2010 |
| “Gold standard” coupled-cluster study of acetylene pentamers and hexamers via molecular tailoring approach AP Rahalkar, BK Mishra, V Ramanathan, SR Gadre Theoretical Chemistry Accounts 130, 491-500, 2011 | 32 | 2011 |
| Aroma A Rahalkar, A Stanger Package. https://chemistry. technion. ac. il/members/amnon-stanger/. Google …, 2020 | 23 | 2020 |
| Acetylene aggregates via cluster-building algorithm and molecular tailoring approach AP Rahalkar, SD Yeole, SR Gadre Theoretical Chemistry Accounts 131, 1-7, 2012 | 18 | 2012 |
| WebMTA: A web‐interface for ab initio geometry optimization of large molecules using molecular tailoring approach R Kavathekar, S Khire, V Ganesh, AP Rahalkar, SR Gadre Journal of computational chemistry 30 (7), 1167-1173, 2009 | 16 | 2009 |
| WebProp: Web interface for ab initio calculation of molecular one‐electron properties V Ganesh, R Kavathekar, A Rahalkar, SR Gadre Journal of computational chemistry 29 (3), 488-495, 2008 | 13 | 2008 |
| Molecular Tailoring: An Art of the Possible for Ab Initio Treatment of Large Molecules and Molecular Clusters AP Rahalkar, SD Yeole, V Ganesh, SR Gadre Linear-Scaling Techniques in Computational Chemistry and Physics: Methods …, 2011 | 11 | 2011 |
| Aroma” package A Rahalkar, A Stanger | 9 | |
| Tailoring approach for obtaining molecular orbitals of large systems# AP Rahalkar, SR Gadre Journal of Chemical Sciences 124, 149-158, 2012 | 6 | 2012 |
| Quantum chemical calculations on large molecular systems_ development of a plug_in utility AP Rahalkar Pune, 2011 | | 2011 |
Shridhar GadreDistinguished Professor, SPPU, PuneVerified email at iitk.ac.in
