| 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), 024103, 2006 | 121 | 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 | 87 | 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 | 60 | 2001 |
| 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 | 50 | 2007 |
| 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 | 49 | 2008 |
| 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 | 47 | 2003 |
| 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 | 30 | 2003 |
| 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 | 27 | 2019 |
| 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 | 27 | 2012 |
| 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 | 24 | 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 | 22 | 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 | 19 | 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 | 18 | 2001 |
| Magnetization of acetate in a slowly varying magnetic field: A quantum mechanical study I Rudra, S Ramasesha, D Sen Physical Review B 64 (1), 014408, 2001 | 14 | 2001 |
| 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 | 11 | 2016 |
| 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 |
| Erratum: Properties of low-lying states in some high-nuclearity Mn, Fe, and V clusters: Exact studies of Heisenberg models [Phys. Rev. B 64, 064419 (2001)] C Raghu, I Rudra, D Sen, S Ramasesha Physical Review B 68 (2), 029902, 2003 | 5 | 2003 |
| 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 | 3 | 2016 |
| Quantum phenomena in magnetic nano clusters C Raghu, I Rudra, D Sen, S Ramasesha Journal of Chemical Sciences 113 (5), 459-486, 2001 | 2 | 2001 |
| Molecular dynamics simulation of the n-octacosane-water mixture confined in hydrophilic and hydrophobic mesopores: The effect of oxygenates KD Papavasileiou, LD Peristeras, J Chen, GP van der Laan, I Rudra, ... Fluid Phase Equilibria 526, 112816, 2020 | 1 | 2020 |
Suryanarayana RamaseshaProfessor Indian Institute of Science, Bangalore, IndiaVerified email at iisc.ac.in
