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Earth, Space, and Environmental Chemistry

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Nabankur Dasgupta

4 results in Authors: Nabankur Dasgupta

Theoretical and Computational Chemistry

Computationally guided synthesis of carbon coated mesoporous silica materials

Nabankur Dasgupta, Qian Mao, Adri van Duin

Version 1 posted 20 November 2023

82

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Earth, Space, and Environmental Chemistry

Interfacial Reactivity and Speciation Emerging from Namontmorillonite Interactions with Water and Formic Acid at 200°C: Insights from Reactive Molecular Dynamics Simulations, Infrared Spectroscopy, and X-ray Scattering Measurements

Murali Gopal Muraleedharan, Hassnain Asgar, Seung Ho Hahn, Nabankur Dasgupta, Greeshma Gadikota, Adri C.T. van Duin

Version 1 posted 22 October 2020

650

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Theoretical and Computational Chemistry

Development and Application of ReaxFF Methodology for Understanding the Chemical Dynamics of Metal Carbonates in Aqueous Solutions

Nabankur Dasgupta, Chen Chen, Adri van Duin

Version 1 posted 21 October 2021

630

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Theoretical and Computational Chemistry

Hydrophobic nanoconfinement enhances CO2 conversion to H2CO3

Nabankur Dasgupta, Tuan Ho, Susan Rempe, Yifeng Wang

Version 1 posted 08 December 2022

353

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