| Accurate magnetic exchange couplings in transition-metal complexes from constrained density-functional theory I Rudra, Q Wu, T Van Voorhis The Journal of chemical physics 124 (2), 2006 | 132 | 2006 |
| Properties of low-lying states in some high-nuclearity Mn, Fe, and V clusters: Exact studies of Heisenberg models C Raghu, I Rudra, D Sen, S Ramasesha Physical Review B 64 (6), 064419, 2001 | 93 | 2001 |
| Synthesis and Spectroscopic Characterization of Highly Conducting BF3‐Doped Polyaniline D Chaudhuri, A Kumar, I Rudra, DD Sarma Advanced Materials 13 (20), 1548-1551, 2001 | 64 | 2001 |
| Electronic and Vibronic Contributions to Two‐Photon Absorption in Donor–Acceptor–Donor Squaraine Chromophores S Ohira, I Rudra, K Schmidt, S Barlow, SJ Chung, Q Zhang, J Matichak, ... Chemistry–A European Journal 14 (35), 11082-11091, 2008 | 59 | 2008 |
| Predicting exchange coupling constants in frustrated molecular magnets using density functional theory I Rudra, Q Wu, T Van Voorhis Inorganic chemistry 46 (25), 10539-10548, 2007 | 56 | 2007 |
| Equation of state of fluid methane from first principles with machine learning potentials M Veit, SK Jain, S Bonakala, I Rudra, D Hohl, G Csányi Journal of chemical theory and computation 15 (4), 2574-2586, 2019 | 55 | 2019 |
| Covalent linkage of the type-2 and type-3 structural mimics to model the active site structure of multicopper oxidases: Synthesis and magneto-structural properties of two … A Mukherjee, I Rudra, SG Naik, S Ramasesha, M Nethaji, AR Chakravarty Inorganic chemistry 42 (18), 5660-5668, 2003 | 53 | 2003 |
| Shear viscosity of linear alkanes through molecular simulations: quantitative tests for n-decane and n-hexadecane RS Payal, S Balasubramanian, I Rudra, K Tandon, I Mahlke, D Doyle, ... Molecular Simulation 38 (14-15), 1234-1241, 2012 | 38 | 2012 |
| Synthesis, Crystal Structure, and Magnetic Properties of an Alkoxo− Hydroxo-Bridged Octanuclear Copper (II) Complex Showing Chemically Significant Hydrogen-Bonding Interactions … A Mukherjee, I Rudra, M Nethaji, S Ramasesha, AR Chakravarty Inorganic chemistry 42 (2), 463-468, 2003 | 32 | 2003 |
| Synthesis, crystal structure and magnetic properties of quasi-linear tetranuclear copper (II) Schiff base complexes formed by covalent linkage of asymmetrically dibridged … A Mukherjee, MK Saha, I Rudra, S Ramasesha, M Nethaji, ... Inorganica chimica acta 357 (4), 1077-1082, 2004 | 25 | 2004 |
| Evaluation of low-energy effective Hamiltonian techniques for coupled spin triangles C Raghu, I Rudra, S Ramasesha, D Sen Physical Review B 62 (14), 9484, 2000 | 23 | 2000 |
| Properties of a mixed-valent iron compound with the kagomé lattice CNR Rao, G Paul, A Choudhury, EV Sampathkumaran, AK Raychaudhuri, ... Physical Review B 67 (13), 134425, 2003 | 21 | 2003 |
| An alternate model for magnetization plateaus in the molecular magnet V15 I Rudra, S Ramasesha, D Sen Journal of Physics: Condensed Matter 13 (50), 11717, 2001 | 19 | 2001 |
| Exchange interaction in binuclear complexes with rare-earth and copper ions: A many-body model study I Rudra, C Raghu, S Ramasesha Physical Review B 65 (22), 224411, 2002 | 16 | 2002 |
| Enhanced catechol biosensing on metal oxide nanocrystal sensitized graphite nanoelectrodes through preferential molecular adsorption IC Lekshmi, I Rudra, R Pillai, C Sarika, MS Shivakumar, C Shivakumara, ... Journal of Electroanalytical Chemistry 867, 114190, 2020 | 15 | 2020 |
| Molecular Simulation of n-Octacosane–Water Mixture in Titania Nanopores at Elevated Temperature and Pressure KD Papavasileiou, ZA Makrodimitri, LD Peristeras, J Chen, ... The Journal of Physical Chemistry C 120 (43), 24743-24753, 2016 | 15 | 2016 |
| Magnetization of Mn_12 Ac in a slowly varying magnetic field: an ab initio study I Rudra, S Ramasesha, D Sen arXiv preprint cond-mat/0008144, 2000 | 14 | 2000 |
| Model exact low-lying states and spin dynamics in ferric wheels: to I Rudra, S Ramasesha, D Sen Physical Review B 66 (1), 014441, 2002 | 7 | 2002 |
| Controlling and Optimizing Photoinduced Charge Transfer across Ultrathin Silica Separation Membrane with Embedded Molecular Wires for Artificial Photosynthesis H Zhang, I Weiss, I Rudra, WJ Jo, S Kellner, G Katsoukis, E Galoppini, ... ACS applied materials & interfaces 13 (20), 23532-23546, 2021 | 6 | 2021 |
| Determination of diesel physical properties at injection pressures and temperatures via all-atom molecular simulations A Verma, R Cracknell, D Doyle, I Rudra SAE International Journal of Fuels and Lubricants 9 (3), 567-574, 2016 | 5 | 2016 |
Suryanarayana RamaseshaProfessor Indian Institute of Science, Bangalore, IndiaVerified email at iisc.ac.in
