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Theoretical and Computational Chemistry

Working Paper

Computational Study of Tandem C-C Coupling and C-H Activation Reaction of a Flexible Substrate

Davuluri Yogeswara Rao, Anakuthil Anoop

Version 1 posted 06 May 2019

442

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Theoretical and Computational Chemistry

Working Paper

Performance of Density Functionals and Semiempirical 3c Methods for Small Gold-Thiolate Clusters

Maya Khatun, Sayan Paul, Saikat Roy, Subhasis Dey, Anakuthil Anoop

Version 3 posted 27 October 2022

486

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Theoretical and Computational Chemistry

Working Paper

Insights into the active catalyst formation in palladium catalyzed coupling reaction from di-nuclear palladium acetate: A DFT study

Saikat Roy, Anakuthil Anoop

Version 1 posted 28 January 2022

630

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Catalysis

Working Paper

The Role of Homoaromaticity in the Tropylium-Catalyzed Carboxylic Acid O-H Insertion with Diazoesters

Anakuthil Anoop, Venkataraman Ganesh

Version 2 posted 17 January 2022

530

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1

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Earth, Space, and Environmental Chemistry

Working Paper

Exploring the Chemical Space of C3H2NO Isomers and Bimolecular Reactions with Hydrogen Cyanide and Formaldehyde: Insights into the Emergence of Life

Sunanda Panda, Ayusman Chiranjibi, Devesh Awasthi, Anakuthil Anoop

Version 2 posted 03 May 2023

348

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Materials Chemistry

Working Paper

Photochromism and Photomagnetism in 1,4-bis(4,5-diphenyl-imidazolyl)benzene Chromophores: Water Assisted π-stacks for the Generation of Stable Free Radicals in Solid State

Subhajit Saha, Sudipta Khamurai, Rajib Moi, Anakuthil Anoop, Vladimir Chernyshev, Debamalya Banerjee, Kumar Biradha

Version 1 posted 08 May 2023

291

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Theoretical and Computational Chemistry

Working Paper

Nanoclusters and Nanoalloys of Group 13 elements B, Al, and Ga: Benchmark, structure, and property analysis

Maya Khatun, Pratik Sarkar, Sunanda Panda, Lazumla T Sherpa, Anakuthil Anoop

Version 1 posted 01 November 2022

342

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Earth, Space, and Environmental Chemistry

Working Paper

HCN Dimers to HCN Tetramers: Computational Exploration of Binary Reactions

Sunanda Panda, Saikat Roy, Maya Khatun, Anakuthil Anoop

Version 1 posted 22 January 2024

292

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Earth, Space, and Environmental Chemistry

Working Paper

Potential Prebiotic Pathways in Titan’s Atmosphere: A Computational Exploration of HCN and NH3 Reactions

Sunanda Panda, Anakuthil Anoop

Version 1 posted 06 November 2023

145

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9 results in Anakuthil Anoop in Authors: Anakuthil Anoop

Computational Study of Tandem C-C Coupling and C-H Activation Reaction of a Flexible Substrate

Performance of Density Functionals and Semiempirical 3c Methods for Small Gold-Thiolate Clusters

Insights into the active catalyst formation in palladium catalyzed coupling reaction from di-nuclear palladium acetate: A DFT study

The Role of Homoaromaticity in the Tropylium-Catalyzed Carboxylic Acid O-H Insertion with Diazoesters

Exploring the Chemical Space of C3H2NO Isomers and Bimolecular Reactions with Hydrogen Cyanide and Formaldehyde: Insights into the Emergence of Life

Photochromism and Photomagnetism in 1,4-bis(4,5-diphenyl-imidazolyl)benzene Chromophores: Water Assisted π-stacks for the Generation of Stable Free Radicals in Solid State

Nanoclusters and Nanoalloys of Group 13 elements B, Al, and Ga: Benchmark, structure, and property analysis

HCN Dimers to HCN Tetramers: Computational Exploration of Binary Reactions

Potential Prebiotic Pathways in Titan’s Atmosphere: A Computational Exploration of HCN and NH3 Reactions

9 results in Authors: Anakuthil Anoop