Indranil Rudra
Indranil Rudra
Shell Technology Center, India
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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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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