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Investigating the validity of Schrage relationships for water using molecular dynamics simulations

The Journal of chemical physics, 2020-09, Vol.153 (12), p.124505-124505

2020

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Transition metal-mediated O-O bond formation and activation in chemistry and biology

Chemical Society reviews, 2021-04, Vol.5 (8), p.484-4811

2021

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Thermal transport dynamics in active heat transfer fluids (AHTF)

Journal of applied physics, 2021-05, Vol.129 (17)

2021

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A luminescent europium(III)-platinum(II) heterometallic complex as a theranostic agent: a proof-of-concept study

Dalton transactions : an international journal of inorganic chemistry, 2016-01, Vol.45 (2), p.494-497

2016

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Thermal vibration characteristics of armchair boron-nitride nanotubes

Journal of applied physics, 2015-12, Vol.118 (23)

2015

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Temperature Dependence of the Catalytic Two- versus Four-Electron Reduction of Dioxygen by a Hexanuclear Cobalt Complex

Journal of the American Chemical Society, 2017-10, Vol.139 (42), p.15033-15042

2017

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Nucleophilic versus Electrophilic Reactivity of Bioinspired Superoxido Nickel(II) Complexes

Angewandte Chemie International Edition, 2018-11, Vol.57 (45), p.14883-14887

International ed. in English, 2018

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Quantum Kerr learning

Machine learning: science and technology, 2023-06, Vol.4 (2), p.25003

2023

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A molecular dynamics study of transient evaporation and condensation

International journal of heat and mass transfer, 2020-03, Vol.149, p.119152, Article 119152

2020

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Nucleophilic versus Electrophilic Reactivity of Bioinspired Superoxido Nickel(II) Complexes

Angewandte Chemie, 2018-11, Vol.130 (45), p.15099-15103

2018

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A continuum framework for modeling liquid-vapor interfaces out of local thermal equilibrium

International journal of heat and mass transfer, 2019-12, Vol.144, p.118597, Article 118597

2019

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On the applicability of continuum scale models for ultrafast nanoscale liquid-vapor phase change

International journal of multiphase flow, 2021-02, Vol.135, p.103508, Article 103508

2021

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Catalytic dioxygen reduction mediated by a tetranuclear cobalt complex supported on a stannoxane core

Dalton transactions : an international journal of inorganic chemistry, 2020-05, Vol.49 (18), p.665-673

2020

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Interfacial Relations in Liquid-Vapor Phase Change Processes: An Atomistic and Continuum Study

Chandra, Anirban

2021

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A locally discontinuous ALE finite element formulation for compressible phase change problems

Journal of computational physics, 2019-09, Vol.393, p.438-464

2019

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Ligand‐Constraint‐Induced Peroxide Activation for Electrophilic Reactivity

Angewandte Chemie (International ed.), 2021-06, Vol.60 (27), p.14954-14959

International ed. in English, 2021

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Reinforcement learning based hybrid bond-order coarse-grained interatomic potentials for exploring mesoscale aggregation in liquid–liquid mixtures

The Journal of chemical physics, 2023-07, Vol.159 (2)

2023

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Formation of cobalt-oxygen intermediates by dioxygen activation at a mononuclear nonheme cobalt() center

Dalton transactions : an international journal of inorganic chemistry, 2021-09, Vol.5 (34), p.11889-11898

2021

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Understanding structure-processing relationships in metal additive manufacturing via featurization of microstructural images

Computational materials science, 2024-01, Vol.231, p.112566, Article 112566

2024

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A parallel interface tracking approach for evolving geometry problems

Engineering with computers, 2022-10, Vol.38 (5), p.4289-4305

2022

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A non-primitive boundary integral formulation for modeling flow through composite porous channel

Engineering analysis with boundary elements, 2019-12, Vol.109, p.94-105

2019

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Flows in slip-patterned micro-channels using boundary element methods

Engineering analysis with boundary elements, 2016-12, Vol.73, p.95-102

2016

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A non-primitive boundary element technique for modeling flow through non-deformable porous medium using Brinkman equation

Meccanica (Milan), 2018-07, Vol.53 (9), p.2333-2352

2018

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Ligand‐Constraint‐Induced Peroxide Activation for Electrophilic Reactivity

Angewandte Chemie, 2021-06, Vol.133 (27), p.15081-15086

2021

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A luminescent europium(iii)-platinum(ii) heterometallic complex as a theranostic agent: a proof-of-concept studyDedicated to Professor Animesh Chakravorty on the occasion of his 80th birthday.Electronic supplementary information (ESI) available: Experimental details; synthesis and characterization of compounds; ESI-MS analysis; DNA and BSA binding experiments; cytotoxicity and cellular internalization studies. See DOI: 10.1039/c5dt04470g

2015-12

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Investigating the validity of Schrage relationships for water using molecular dynamics simulations

Transition metal-mediated O-O bond formation and activation in chemistry and biology

Thermal transport dynamics in active heat transfer fluids (AHTF)

A luminescent europium(III)-platinum(II) heterometallic complex as a theranostic agent: a proof-of-concept study

Thermal vibration characteristics of armchair boron-nitride nanotubes

Temperature Dependence of the Catalytic Two- versus Four-Electron Reduction of Dioxygen by a Hexanuclear Cobalt Complex

Nucleophilic versus Electrophilic Reactivity of Bioinspired Superoxido Nickel(II) Complexes

Quantum Kerr learning

A molecular dynamics study of transient evaporation and condensation

Nucleophilic versus Electrophilic Reactivity of Bioinspired Superoxido Nickel(II) Complexes

A continuum framework for modeling liquid-vapor interfaces out of local thermal equilibrium

On the applicability of continuum scale models for ultrafast nanoscale liquid-vapor phase change

Catalytic dioxygen reduction mediated by a tetranuclear cobalt complex supported on a stannoxane core

Interfacial Relations in Liquid-Vapor Phase Change Processes: An Atomistic and Continuum Study

A locally discontinuous ALE finite element formulation for compressible phase change problems

Ligand‐Constraint‐Induced Peroxide Activation for Electrophilic Reactivity

Reinforcement learning based hybrid bond-order coarse-grained interatomic potentials for exploring mesoscale aggregation in liquid–liquid mixtures

Formation of cobalt-oxygen intermediates by dioxygen activation at a mononuclear nonheme cobalt() center

Understanding structure-processing relationships in metal additive manufacturing via featurization of microstructural images

A parallel interface tracking approach for evolving geometry problems

A non-primitive boundary integral formulation for modeling flow through composite porous channel

Flows in slip-patterned micro-channels using boundary element methods

A non-primitive boundary element technique for modeling flow through non-deformable porous medium using Brinkman equation

Ligand‐Constraint‐Induced Peroxide Activation for Electrophilic Reactivity

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