I. Rudra

发表

Molecular dynamics simulation of the n-octacosane-water mixture confined in hydrophilic and hydrophobic mesopores: The effect of oxygenates

L. Peristeras, I. Economou, Jiaqi Chen, 2020 .

Shear viscosity of linear alkanes through molecular simulations: quantitative tests for n-decane and n-hexadecane

R. Cracknell, K. Tandon, S. Balasubramanian, 2012 .

Predicting exchange coupling constants in frustrated molecular magnets using density functional theory.

T. Van Voorhis, Qin Wu, I. Rudra, 2007, Inorganic chemistry.

Accurate magnetic exchange couplings in transition-metal complexes from constrained density-functional theory.

T. Van Voorhis, Qin Wu, I. Rudra, 2006, The Journal of chemical physics.

Properties of low-lying states in some high-nuclearity Mn, Fe, and V clusters: exact studies of Heisenberg models

S. Ramasesha, D. Sen, C. Raghu, 2001, cond-mat/0101274.

Synthesis and Spectroscopic Characterization of Highly Conducting BF3‐Doped Polyaniline

D. Sarma, Ashwani Kumar, Debangshu Chaudhuri, 2001 .

Controlling and Optimizing Photoinduced Charge Transfer across Ultrathin Silica Separation Membrane with Embedded Molecular Wires for Artificial Photosynthesis.

E. Galoppini, W. Jo, Hongna Zhang, 2021, ACS applied materials & interfaces.

Study of Low-energy States of Clusters of Spin-1/2 and Spin-1 Triangles with Kagome-like Geometries

S. Ramasesha, D. Sen, I. Rudra, 2002, cond-mat/0210122.

Model exact low-lying states and spin dynamics in ferric wheels: Fe 6 to Fe 12

S. Ramasesha, D. Sen, I. Rudra, 2002, cond-mat/0201330.

Evaluation of low-energy effective Hamiltonian techniques for coupled spin triangles

S. Ramasesha, D. Sen, C. Raghu, 2000, cond-mat/0002099.

An alternate model for magnetization plateaus in the molecular magnet V15

S. Ramasesha, D. Sen, I. Rudra, 2000, cond-mat/0011031.

Synthesis, crystal structure and magnetic properties of quasi-linear tetranuclear copper(II) Schiff base complexes formed by covalent linkage of asymmetrically dibridged dicopper(II) units

M. Nethaji, Arindam Mukherjee, I. Rudra, 2004 .

Synthesis, crystal structure, and magnetic properties of an alkoxo-hydroxo-bridged octanuclear copper(II) complex showing chemically significant hydrogen-bonding interactions involving a metallamacrocyclic core.

M. Nethaji, Arindam Mukherjee, I. Rudra, 2003, Inorganic chemistry.

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 angular trinuclear copper(II) complexes.

S. Naik, M. Nethaji, Arindam Mukherjee, 2003, Inorganic chemistry.

Quantum phenomena in magnetic nano clusters

S. Ramasesha, D. Sen, C. Raghu, 2001 .

Properties of low-lying states in some high-nuclearity Mn, Fe, and V clusters: exact studies of Heisenberg models

S. Ramasesha, D. Sen, C. Raghu, 2001, cond-mat/0101274.

Enhanced catechol biosensing on metal oxide nanocrystal sensitized graphite nanoelectrodes through preferential molecular adsorption

M. Shivakumar, S. Konwar, I. C. Lekshmi, 2020, Journal of Electroanalytical Chemistry.

Properties of a Mixed-Valent Iron Compound with the Kagomé Lattice

C. Rao, A. Choudhury, S. Ramasesha, 2003 .

Magnetization of $Mn_{12}$ acetate in a slowly varying magnetic field: A quantum mechanical study

S. Ramasesha, D. Sen, I. Rudra, 2000, cond-mat/0008144.

Molecular Simulation of n-Octacosane–Water Mixture in Titania Nanopores at Elevated Temperature and Pressure

Zoi A. Makrodimitri, Jiaqi Chen, L. Peristeras, 2016 .

First Principle characterization and experimental validation of the Solid-Solid Interface in a Novel Organosulfur Cathode for Li-S Battery.

Satyanarayana Bonakala, G. Verbist, C. Christova, 2020, ACS applied materials & interfaces.

Electronic and vibronic contributions to two-photon absorption in donor-acceptor-donor squaraine chromophores.

S. Barlow, J. Brédas, S. Marder, 2008, Chemistry.

Equation of State of Fluid Methane from First Principles with Machine Learning Potentials.

Gábor Csányi, D. Hohl, M. Veit, 2018, Journal of chemical theory and computation.