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Theoretical and Computational Chemistry

Review

Structure Prediction from Melanin Spectra amidst Dynamical Heterogeneity

Arpan Choudhury, Raghunathan Ramakrishnan, Debashree Ghosh

Version 2 posted 04 December 2023

238

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Organic Chemistry

Working Paper

Photosensitizer-Free Photoinduced Ground-State Triplet Carbene-Assisted Aryloxy Radical Generation via HAT

Debasish Laha, Onkar S. Bankar, Balu S. Navale, Supriyo Santra, Dr. Debashree Ghosh, Dr. Ramakrishna G. Bhat

Version 1 posted 08 September 2023

557

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Organic Chemistry

Working Paper

Switch to Phosphoresce: S-winged Terrylene Diimide Exhibits Switching between Red TADF and Near-IR Room Temperature Phosphorescence

Sankar Jeyaraman, Shivangee Jha, Kundan Mehra, Mandira Dey, S Sujesh, Debashree Ghosh, Pradip Mondal, Maurizio Polentarutti

Version 1 posted 16 February 2024

409

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Theoretical and Computational Chemistry

Working Paper

Machine Learning Matrix Product State Ansatz for strongly correlated systems

Sumanta K. Ghosh, Debashree Ghosh

Version 1 posted 08 June 2022

360

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1

Citations

Theoretical and Computational Chemistry

Working Paper

Efficient machine learning configuration interaction for bond breaking problems

Madhumita Rano, Debashree Ghosh

Version 1 posted 28 July 2022

301

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Theoretical and Computational Chemistry

Working Paper

In the Quest for a Stable Triplet State in Small Polyaromatic Hydrocarbons : An In-Silico Tool for Rational Design and Prediction

Madhumita Rano, Sumanta K Ghosh, Debashree Ghosh

Version 1 posted 17 May 2019

591

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Physical Chemistry

Working Paper

Subverting covalency gives rise to ionic bonding in high spin states of heterodiatomics

Ishita Bhattacharjee, Debashree Ghosh, Ankan Paul

Version 1 posted 30 November 2022

126

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Theoretical and Computational Chemistry

Working Paper

Resolving the Quadruple Bonding Conundrum in C2 Using Insights Derived from Excited State Potential Energy Surfaces: A Molecular Orbital Perspective

Ishita Bhattacharjee, Debashree Ghosh, Ankan Paul

Version 1 posted 26 December 2019

462

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Theoretical and Computational Chemistry

Working Paper

Active Learning Assisted MCCI to Target Spin States

Koushik Seth, Debashree Ghosh

Version 2 posted 13 September 2022

194

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1

Citations

Theoretical and Computational Chemistry

Working Paper

The Curious Case of Low-lying States in Non-linear Polyaromatic Hydrocarbons

Mandira DEY, Debashree Ghosh

Version 2 posted 27 September 2022

212

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11 results in Debashree Ghosh in Authors: Debashree Ghosh

Structure Prediction from Melanin Spectra amidst Dynamical Heterogeneity

Photosensitizer-Free Photoinduced Ground-State Triplet Carbene-Assisted Aryloxy Radical Generation via HAT

Switch to Phosphoresce: S-winged Terrylene Diimide Exhibits Switching between Red TADF and Near-IR Room Temperature Phosphorescence

Machine Learning Matrix Product State Ansatz for strongly correlated systems

Efficient machine learning configuration interaction for bond breaking problems

In the Quest for a Stable Triplet State in Small Polyaromatic Hydrocarbons : An In-Silico Tool for Rational Design and Prediction

Subverting covalency gives rise to ionic bonding in high spin states of heterodiatomics

Resolving the Quadruple Bonding Conundrum in C2 Using Insights Derived from Excited State Potential Energy Surfaces: A Molecular Orbital Perspective

Active Learning Assisted MCCI to Target Spin States

The Curious Case of Low-lying States in Non-linear Polyaromatic Hydrocarbons

11 results in Authors: Debashree Ghosh