T
Tanusri Saha-Dasgupta
Researcher at S.N. Bose National Centre for Basic Sciences
Publications - 224
Citations - 4900
Tanusri Saha-Dasgupta is an academic researcher from S.N. Bose National Centre for Basic Sciences. The author has contributed to research in topics: Electronic structure & Density functional theory. The author has an hindex of 30, co-authored 195 publications receiving 4271 citations. Previous affiliations of Tanusri Saha-Dasgupta include Max Planck Society & Indian National Association.
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Rocksalt versus layered ordering in double perovskites: A case study with La 2 CuSnO 6 and La 2 CuIrO 6
TL;DR: In this paper, the authors carried out first-principles calculations with an aim to obtain microscopic understanding on the ordering of transition metal ions in double perovskite compounds of general composition.
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Effect of hydrogen on degradation mechanism of zirconium: A molecular dynamics study
TL;DR: In this paper, the effect of hydrogen atoms in dilute and concentrated limit of Zr was investigated using large-scale molecular dynamics simulation, and the deformation behavior was characterized using stress-strain curves and micro-structure analysis at different strain values.
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Cooperativity in spin-crossover transition in metalorganic complexes: Interplay of magnetic and elastic interactions
TL;DR: In this article, the magnetic exchange interaction between localized magnetic moments at spin-crossover sites can play a crucial role in cooperativity, depending on the nature of the elastic interactions.
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Cationic Effect on Pressure Driven Spin-State Transition and Cooperativity in Hybrid Perovskites
TL;DR: In this article, a first-principles study showed that hybrid or metal-organic framework (MOF) perovskites of general composition, ABX3, are also potential candidates for exhibiting cooperative spin-state transitions upon application of external stimuli.
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Flexibility modulates the catalytic activity of a thermostable enzyme: key information from optical spectroscopy and molecular dynamics simulation.
Pritam Biswas,Aniruddha Adhikari,Uttam Pal,Priya Singh,Monojit Das,Tanusri Saha-Dasgupta,Sudeshna Shyam Choudhury,Ranjan Das,Samir Kumar Pal,Samir Kumar Pal +9 more
TL;DR: The role of dynamic flexibility in the catalytic activity of a thermostable enzyme almond beta-glucosidase (BGL) is addressed and the flexibility of BGL increases concurrently with temperature through different fluctuating characteristics of the enzyme's LRs.