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Computational insight of repurpose drug for treatment of COVID-19: a CDFT approach

Theoretical chemistry accounts, 2024, Vol.143 (1), Article 7

2024

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Structure and electronic properties of AunPt (n = 1–8) nanoalloy clusters: the density functional theory study

Journal of nanoparticle research : an interdisciplinary forum for nanoscale science and technology, 2020, Vol.22 (2), Article 35

2020

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Combating Online Hostile Posts in Regional Languages during Emergency Situation: First International Workshop, CONSTRAINT 2021, Collocated with AAAI 2021, Virtual Event, February 8, 2021, Revised Selected Papers

1st Edition 2021, 2021

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Guest editorial for the special collection of mathematical chemistry papers

Journal of mathematical chemistry, 2024, Vol.62 (10), p.2371-2372

2024

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Emerging Trends of Research in Chemical Sciences: Qualitative and Quantitative Studies and Applications

1, 2022

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Framing the impact of external magnetic field on bioconvection of a nanofluid flow containing gyrotactic microorganisms with convective boundary conditions

Alexandria engineering journal, 2018-03, Vol.57 (1), p.61-71

2018

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Polarizability: a promising descriptor to study chemical–biological interactions

Molecular diversity, 2021-02, Vol.25 (1), p.249-262

2021

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Structure and optical properties of (CuAg)n (n = 1–6) nanoalloy clusters within density functional theory framework

Journal of nanoparticle research : an interdisciplinary forum for nanoscale science and technology, 2020-09, Vol.22 (9), Article 280

2020

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An alternative approach to compute atomic hardness

Theoretical chemistry accounts, 2021-05, Vol.140 (5), Article 60

2021

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Big data and remote sensing for multi-decadal drought impact assessment on Shorea robusta

Theoretical and applied climatology, 2022-05, Vol.148 (3-4), p.1587-1602

2022

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On the discovery of invariant groups in complex networks

Journal of complex networks, 2017-10

Chakraborty, Tanmoy

2017

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Study of oxide-based nano cluster X3O4 (X = Ti, Fe and Zn) for biomedical applications: a CDFT approach

Journal of mathematical chemistry, 2024, Vol.62 (10), p.2827-2843

2024

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Density Functional Approach: To Study Copper Sulfide Nanoalloy Clusters

Acta chimica Slovenica, 2019-02, Vol.66 (1), p.173-181

2019

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A fundamental approach to compute atomic electrophilicity index

Journal of mathematical chemistry, 2020-10, Vol.58 (9), p.2188-2196

2020

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Theoretical investigation of some transition metal sulfides nanomaterials: CDFT approach

Theoretical chemistry accounts, 2023-04, Vol.142 (4), Article 39

2023

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Application of floating spherical Gaussian orbital approach in redefining the atomic periodic descriptor

Journal of mathematical chemistry, 2023-10, Vol.61 (9), p.1924-1935

2023

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A scale of atomic magnetizability

Theoretical chemistry accounts, 2021-08, Vol.140 (8), Article 105

2021

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Sleeping beauties in Computer Science: characterization and early identification

Scientometrics, 2017-12, Vol.113 (3), p.1645-1663

2017

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A computational study of potential therapeutics for COVID-19 invoking conceptual density functional theory

Structural chemistry, 2022-12, Vol.33 (6), p.2195-2204

2022

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Maximum nucleophilicity principle

Chemical papers, 2024-01, Vol.78 (2), p.1139-1143

2024

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A study of 5-lipoxygenase inhibitors invoking DFT-based descriptor nucleophilicity index

Monatshefte für Chemie, 2022-08, Vol.153 (7-8), p.651-656

2022

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Artificial intelligence predicts normal summer monsoon rainfall for India in 2023

Scientific reports, 2024-01, Vol.14 (1), p.1495-1495, Article 1495

2024

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Universal trajectories of scientific success

Knowledge and information systems, 2018-02, Vol.54 (2), p.487-509

2018

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Computation of absolute radii of 103 elements of the periodic table in terms of nucleophilicity index

Journal of mathematical chemistry, 2020-05, Vol.58 (5), p.1025-1040

2020

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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

Chemical physics impact, 2023-12, Vol.7, p.100344, Article 100344

2023

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Computational insight of repurpose drug for treatment of COVID-19: a CDFT approach

Structure and electronic properties of AunPt (n = 1–8) nanoalloy clusters: the density functional theory study

Combating Online Hostile Posts in Regional Languages during Emergency Situation: First International Workshop, CONSTRAINT 2021, Collocated with AAAI 2021, Virtual Event, February 8, 2021, Revised Selected Papers

Guest editorial for the special collection of mathematical chemistry papers

Emerging Trends of Research in Chemical Sciences: Qualitative and Quantitative Studies and Applications

Framing the impact of external magnetic field on bioconvection of a nanofluid flow containing gyrotactic microorganisms with convective boundary conditions

Polarizability: a promising descriptor to study chemical–biological interactions

Structure and optical properties of (CuAg)n (n = 1–6) nanoalloy clusters within density functional theory framework

An alternative approach to compute atomic hardness

Big data and remote sensing for multi-decadal drought impact assessment on Shorea robusta

On the discovery of invariant groups in complex networks

Study of oxide-based nano cluster X3O4 (X = Ti, Fe and Zn) for biomedical applications: a CDFT approach

Density Functional Approach: To Study Copper Sulfide Nanoalloy Clusters

A fundamental approach to compute atomic electrophilicity index

Theoretical investigation of some transition metal sulfides nanomaterials: CDFT approach

Application of floating spherical Gaussian orbital approach in redefining the atomic periodic descriptor

A scale of atomic magnetizability

Sleeping beauties in Computer Science: characterization and early identification

A computational study of potential therapeutics for COVID-19 invoking conceptual density functional theory

Maximum nucleophilicity principle

A study of 5-lipoxygenase inhibitors invoking DFT-based descriptor nucleophilicity index

Artificial intelligence predicts normal summer monsoon rainfall for India in 2023

Universal trajectories of scientific success

Computation of absolute radii of 103 elements of the periodic table in terms of nucleophilicity index

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

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