Computational insight of repurpose drug for treatment of COVID-19: a CDFT approach von Ranjan, Prabhat, Chakraborty, Tanmoy

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Structure and electronic properties of AunPt (n = 1–8) nanoalloy clusters: the density functional theory study von Ranjan, Prabhat, Chakraborty, Tanmoy

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Guest editorial for the special collection of mathematical chemistry papers von Basak, Subhash C., Chakraborty, Tanmoy

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Polarizing the electronic and nuclear spin of the NV-center in diamond in arbitrary magnetic fields: analysis of the optical pumping process von Chakraborty, Tanmoy, Zhang, Jingfu, Suter, Dieter

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Structure and optical properties of (CuAg)n (n = 1–6) nanoalloy clusters within density functional theory framework von Ranjan, Prabhat, Chakraborty, Tanmoy

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Big data and remote sensing for multi-decadal drought impact assessment on Shorea robusta von Chakraborty, Tanmoy, Sarkar, Showmitra Kumar, Morshed, Md. Manjur

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On the discovery of invariant groups in complex networks von Chakraborty, Tanmoy

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Study of oxide-based nano cluster X3O4 (X = Ti, Fe and Zn) for biomedical applications: a CDFT approach von Das, Shayeri, Ranjan, Prabhat, Chakraborty, Tanmoy

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A scale of atomic magnetizability von Tandon, Hiteshi, Chakraborty, Tanmoy, Suhag, Vandana

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A fundamental approach to compute atomic electrophilicity index von Tandon, Hiteshi, Chakraborty, Tanmoy, Suhag, Vandana

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Application of floating spherical Gaussian orbital approach in redefining the atomic periodic descriptor von Kumari, Dimple, Saloni, Saloni, Labarca, Martín, Chakraborty, Tanmoy

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Sleeping beauties in Computer Science: characterization and early identification von Dey, Ratnadeep, Roy, Anurag, Chakraborty, Tanmoy, Ghosh, Saptarshi

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A computational study of potential therapeutics for COVID-19 invoking conceptual density functional theory von Saloni, Kumari, Dimple, Ranjan, Prabhat, Chakraborty, Tanmoy

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Maximum nucleophilicity principle von Tandon, Hiteshi, Banerjee, Ratna, Chakraborty, Tanmoy

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Nurse is Closer to Woman than Surgeon? Mitigating Gender-Biased Proximities in Word Embeddings von Kumar, Vaibhav, Kumar, Vaibhav, Bhotia, Tenzin Singhay, Chakraborty, Tanmoy

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A study of 5-lipoxygenase inhibitors invoking DFT-based descriptor nucleophilicity index von Yadav, Poonam, Tandon, Hiteshi, Malik, Babita, Chakraborty, Tanmoy

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Computation of absolute radii of 103 elements of the periodic table in terms of nucleophilicity index von Tandon, Hiteshi, Ranjan, Prabhat, Chakraborty, Tanmoy, Suhag, Vandana

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Study of Tl-based perovskite materials TlZX3 (Z = Ge, Sn, Be, Sr; X = Cl, Br, I) for application in scintillators: DFT and TD-DFT approach von Sharma, Pooja, Ranjan, Prabhat, Chakraborty, Tanmoy

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On the Validity of Minimum Magnetizability Principle in Chemical Reactions von Tandon, Hiteshi, Chakraborty, Tanmoy, Suhag, Vandana

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Calibration of SUMO Microscopic Simulation for Heterogeneous Traffic Condition: The Case of the City of Khulna, Bangladesh von Chowdhury, Md. Mynul Hossain, Chakraborty, Tanmoy

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