| Significant progress in predicting the crystal structures of small organic molecules–a report on the fourth blind test GM Day, TG Cooper, AJ Cruz-Cabeza, KE Hejczyk, HL Ammon, ... Structural Science 65 (2), 107-125, 2009 | 496 | 2009 |
| Effect of matrix on IR frequencies of acetylene and acetylene-methanol complex: infrared matrix isolation and ab initio study KV Jovan Jose, SR Gadre, K Sundararajan, KS Viswanathan The Journal of chemical physics 127 (10), 2007 | 55 | 2007 |
| An ab initio investigation on (CO2) n and CO2 (Ar) m clusters: Geometries and IR spectra KV Jovan Jose, SR Gadre The Journal of chemical physics 128 (12), 2008 | 41 | 2008 |
| Assessment of fragmentation strategies for large proteins using the multilayer molecules-in-molecules approach B Thapa, D Beckett, KV Jovan Jose, K Raghavachari Journal of chemical theory and computation 14 (3), 1383-1394, 2018 | 38 | 2018 |
| Raman optical activity spectra for large molecules through molecules-in-molecules fragment-based approach KV Jovan Jose, K Raghavachari Journal of Chemical Theory and Computation 12 (2), 585-594, 2016 | 34 | 2016 |
| Molecules-in-molecules fragment-based method for the evaluation of Raman spectra of large molecules KV Jovan Jose, K Raghavachari Molecular Physics 113 (19-20), 3057-3066, 2015 | 25 | 2015 |
| Electrostatic guidelines and molecular tailoring for density functional investigation of structures and energetics of (Li) n clusters JJ KV, SR Gadre The Journal of Chemical Physics 129 (16), 2008 | 21 | 2008 |
| Ab initio study on (CO2)n clusters via electrostatics‐ and molecular tailoring‐based algorithm KV Jovan Jose, SR Gadre International Journal of Quantum Chemistry 109 (10), 2238-2247, 2009 | 17 | 2009 |
| Electrostatic potential-based method of balancing charge transfer across ONIOM QM: QM boundaries KV Jovan Jose, K Raghavachari Journal of Chemical Theory and Computation 10 (10), 4351-4359, 2014 | 9 | 2014 |
| Ab initio study on (CO2) n clusters via Electrostatics-and Molecular tailoring-based algorithm JJ KV, SR Gadre | | |
| Exploring structures, energetics and properties of atomic and molecular clusters through electrostatics and molecular tailoring KV Jovan Jose | | |
Shridhar GadreDistinguished Professor, SPPU, PuneEmail được xác minh tại iitk.ac.in