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The Journal of Chemical Physics|January 21, 2006
Accurate magnetic exchange couplings in transition-metal complexes from constrained density-functional theoryIndranil Rudra, Qin Wu, Troy Van VoorhisInorganic Chemistry|November 15, 2007
Predicting exchange coupling constants in frustrated molecular magnets using density functional theoryIndranil Rudra, Qin Wu, Troy Van VoorhisInorganic Chemistry|April 16, 2003
Synthesis, crystal structure, and magnetic properties of an alkoxo-hydroxo-bridged octanuclear copper(II) complex showing chemically significant hydrogen-bonding interactions involving a metallamacrocyclic coreArindam Mukherjee, Indranil Rudra, Munirathinam Nethaji, et al.ACS Applied Materials & Interfaces|March 24, 2020
First-Principles Characterization and Experimental Validation of the Solid-Solid Interface in a Novel Organosulfur Cathode for the Li-S BatterySatyanarayana Bonakala, Amar Deep Pathak, Alexey Deyko, et al.Journal of Chemical Theory and Computation|February 23, 2019
Equation of State of Fluid Methane from First Principles with Machine Learning PotentialsMax Veit, Sandeep Kumar Jain, Satyanarayana Bonakala, et al.Inorganic Chemistry|September 3, 2003
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) complexesArindam Mukherjee, Indranil Rudra, Sunil G Naik, et al.ACS Applied Materials & Interfaces|May 13, 2021
Controlling and Optimizing Photoinduced Charge Transfer across Ultrathin Silica Separation Membrane with Embedded Molecular Wires for Artificial PhotosynthesisHongna Zhang, Ian Weiss, Indranil Rudra, et al.Chemistry (Weinheim an Der Bergstrasse, Germany)|October 31, 2008
Electronic and vibronic contributions to two-photon absorption in donor-acceptor-donor squaraine chromophoresShino Ohira, Indranil Rudra, Karin Schmidt, et al.Pageof 1