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Details of ozonolysis of catechol at high temperature and product energy distribution

Journal of chemical sciences (Bangalore, India), 2023-04, Vol.135 (2), Article 33

2023

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On the intramolecular vibrational energy redistribution dynamics of aromatic complexes: A comparative study on C6H6–C6H5Cl, C6H6–C6H3Cl3, C6H6–C6Cl6 and C6H6–C6H5F, C6H6–C6H3F3, C6H6–C6F6

The Journal of chemical physics, 2024-01, Vol.160 (2)

2024

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Details of exit channel dynamics of the ozonolysis of catechol in condensed phase: Product channels and product energy partitioning

Chemical physics impact, 2024-06, Vol.8, p.100440, Article 100440

2024

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Construction of Diabatic Hamiltonian Matrix from ab Initio Calculated Molecular Symmetry Adapted Nonadiabatic Coupling Terms and Nuclear Dynamics for the Excited States of Na3 Cluster

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2013-04, Vol.117 (16), p.3475-3495

2013

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Unimolecular dissociation of C6H6–C6H5Cl, C6H6–C6H3Cl3, and C6H6–C6Cl6 complexes using machine learning approach

The Journal of chemical physics, 2023-05, Vol.158 (19)

2023

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A detailed theoretical investigation on intramolecular charge transfer mechanism of primary, secondary, and tertiary p-amino substituted benzaldehyde

Chemical physics impact, 2024-06, Vol.8, p.100538, Article 100538

2024

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Single surface beyond Born-Oppenheimer equation for a three-state model Hamiltonian of Na 3 cluster

The Journal of chemical physics, 2009-09, Vol.131 (12), p.124312-124312-21

2009

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Selective extraction of palladium(II) using hydrazone ligand: A novel fluorescent sensor

Journal of luminescence, 2011-11, Vol.131 (11), p.2342-2346

2011

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An Expeditious One‐Pot Two‐Component Synthesis of Quinoxaline Derivatives in Natural Deep Eutectic Solvents (NADESs)

ChemistrySelect (Weinheim), 2023-03, Vol.8 (11), p.n/a

2023

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Dynamical Behavior of Aromatic Trimer Complexes in Unimolecular Dissociation Reaction at High Temperatures. Case Studies on C6H6–C6F6–C6H6 and C6H6 Trimer Complexes

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2022-01, Vol.126 (2), p.259-271

2022

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A quantum-classical approach to the molecular dynamics of butatriene cation with a realistic model Hamiltonian

Physical chemistry chemical physics : PCCP, 2008-11, Vol.10 (42), p.6388-6398

2008

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Dynamical Behavior of Aromatic Trimer Complexes in Unimolecular Dissociation Reaction at High Temperatures. Case Studies on C 6 H 6 -C 6 F 6 -C 6 H 6 and C 6 H 6 Trimer Complexes

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2022-01, Vol.126 (2), p.259-271

2022

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Models for Intrinsic Non-RRKM Dynamics. Decomposition of the SN2 Intermediate Cl––CH3Br

Zeitschrift für physikalische Chemie (Neue Folge), 2013, Vol.227 (11), p.1361-1379

2013

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Sequential parametrized motion planning and its complexity, II

Topology and its applications, 2023-05, Vol.331, p.108490, Article 108490

2023

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Simplicial and combinatorial versions of higher symmetric topological complexity

Topology and its applications, 2023-05, Vol.331, p.108491, Article 108491

2023

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Sequential parametrized motion planning and its complexity

Topology and its applications, 2022-11, Vol.321, p.108256, Article 108256

2022

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Sequential parametrized topological complexity of sphere bundles

European journal of mathematics, 2024-12, Vol.10 (4), Article 53

2024

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Higher analogs of simplicial and combinatorial complexity

Topology and its applications, 2019-11, Vol.267, p.106859, Article 106859

Paul, Amit Kumar

2019

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Pyrene Based Chemosensor for Selective Sensing of Fluoride in Aprotic and Protic Environment

Journal of fluorescence, 2015-09, Vol.25 (5), p.1461-1467

2015

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An upper bound for higher topological complexity and higher strongly equivariant complexity

Topology and its applications, 2020-05, Vol.277, p.107172, Article 107172

2020

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Post-Transition State Direct Dynamics Simulations on the Ozonolysis of Catechol in an N2 Bath and Comparison with Gas-Phase Results

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2023-08, Vol.127 (32), p.6804-6815

2023

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Post-Transition State Direct Dynamics Simulations on the Ozonolysis of Catechol in an N 2 Bath and Comparison with Gas-Phase Results

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2023-08, Vol.127 (32), p.6804-6815

2023

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Construction of Diabatic Hamiltonian Matrix from ab Initio Calculated Molecular Symmetry Adapted Nonadiabatic Coupling Terms and Nuclear Dynamics for the Excited States of Na 3 Cluster

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2013-04, Vol.117 (16), p.3475-3495

2013

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A family of highly selective fluorescent sensors for fluoride based on excited state proton transfer mechanism

Sensors and actuators. B, Chemical, 2014-10, Vol.202, p.1190-1199

2014

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A theoretical investigation to understand the difference in reactivities of secondary and tertiary propargylic alcohols with 1,3,5‐trimethoxybenzene in presence of Brnøsted acid

International journal of chemical kinetics, 2024-06, Vol.56 (6), p.356-367

2024

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Details of ozonolysis of catechol at high temperature and product energy distribution

On the intramolecular vibrational energy redistribution dynamics of aromatic complexes: A comparative study on C6H6–C6H5Cl, C6H6–C6H3Cl3, C6H6–C6Cl6 and C6H6–C6H5F, C6H6–C6H3F3, C6H6–C6F6

Details of exit channel dynamics of the ozonolysis of catechol in condensed phase: Product channels and product energy partitioning

Construction of Diabatic Hamiltonian Matrix from ab Initio Calculated Molecular Symmetry Adapted Nonadiabatic Coupling Terms and Nuclear Dynamics for the Excited States of Na3 Cluster

Unimolecular dissociation of C6H6–C6H5Cl, C6H6–C6H3Cl3, and C6H6–C6Cl6 complexes using machine learning approach

A detailed theoretical investigation on intramolecular charge transfer mechanism of primary, secondary, and tertiary p-amino substituted benzaldehyde

Single surface beyond Born-Oppenheimer equation for a three-state model Hamiltonian of Na 3 cluster

Selective extraction of palladium(II) using hydrazone ligand: A novel fluorescent sensor

An Expeditious One‐Pot Two‐Component Synthesis of Quinoxaline Derivatives in Natural Deep Eutectic Solvents (NADESs)

Dynamical Behavior of Aromatic Trimer Complexes in Unimolecular Dissociation Reaction at High Temperatures. Case Studies on C6H6–C6F6–C6H6 and C6H6 Trimer Complexes

A quantum-classical approach to the molecular dynamics of butatriene cation with a realistic model Hamiltonian

Dynamical Behavior of Aromatic Trimer Complexes in Unimolecular Dissociation Reaction at High Temperatures. Case Studies on C 6 H 6 -C 6 F 6 -C 6 H 6 and C 6 H 6 Trimer Complexes

Models for Intrinsic Non-RRKM Dynamics. Decomposition of the SN2 Intermediate Cl––CH3Br

Sequential parametrized motion planning and its complexity, II

Simplicial and combinatorial versions of higher symmetric topological complexity

Sequential parametrized motion planning and its complexity

Sequential parametrized topological complexity of sphere bundles

Higher analogs of simplicial and combinatorial complexity

Pyrene Based Chemosensor for Selective Sensing of Fluoride in Aprotic and Protic Environment

An upper bound for higher topological complexity and higher strongly equivariant complexity

Post-Transition State Direct Dynamics Simulations on the Ozonolysis of Catechol in an N2 Bath and Comparison with Gas-Phase Results

Post-Transition State Direct Dynamics Simulations on the Ozonolysis of Catechol in an N 2 Bath and Comparison with Gas-Phase Results

Construction of Diabatic Hamiltonian Matrix from ab Initio Calculated Molecular Symmetry Adapted Nonadiabatic Coupling Terms and Nuclear Dynamics for the Excited States of Na 3 Cluster

A family of highly selective fluorescent sensors for fluoride based on excited state proton transfer mechanism

A theoretical investigation to understand the difference in reactivities of secondary and tertiary propargylic alcohols with 1,3,5‐trimethoxybenzene in presence of Brnøsted acid

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