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Kanchi, Subbarao and Gosika, Mounika and Ayappa, KG and Maiti, Prabal K (2018) Dendrimer Interactions with Lipid Bilayer: Comparison of Force Field and Effect of Implicit vs Explicit Solvation. In: JOURNAL OF CHEMICAL THEORY AND COMPUTATION, 14 (7). pp. 3825-3839.
Boffi, Nicholas M and Jain, Manish and Natan, Amir (2016) Efficient Computation of the Hartree-Fock Exchange in Real-Space with Projection Operators. In: JOURNAL OF CHEMICAL THEORY AND COMPUTATION, 12 (8). pp. 3614-3622.
Goswami, Himangshu Prabal and Hua, Weijie and Zhang, Yu and Mukamel, Shaul and Harbola, Upendra (2015) Electroluminescence in Molecular Junctions: A Diagrammatic Approach. In: JOURNAL OF CHEMICAL THEORY AND COMPUTATION, 11 (9). pp. 4304-4315.
Wang, Changwei and Mo, Yirong and Wagner, Philipp J and Schreiner, Peter R and Jemmis, Eluvathingal D and Danovich, David and Shaik, Sason (2015) The Self-Association of Graphane Is Driven by London Dispersion and Enhanced Orbital Interactions. In: JOURNAL OF CHEMICAL THEORY AND COMPUTATION, 11 (4). pp. 1621-1630.
Nandy, Bidisha and Maiti, Prabal K and Bunker, Alex (2013) Force Biased Molecular Dynamics Simulation Study of Effect of Dendrimer Generation on Interaction with DNA. In: JOURNAL OF CHEMICAL THEORY AND COMPUTATION, 9 (1). pp. 722-729.
