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4 results in Keywords: Computational chemistry

Physical Chemistry

First-principles Modeling of the Absorption spectrum of Crystal Violet in Solution - The Importance of Environmentally-driven Symmetry Breaking

Dayana Bashirova, Tim Zuehlsdorff

Version 2 posted 03 May 2024

326

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Chemical Education

Principal Component Analysis (PCA) and Statistical Tests Using Factoshiny and R Commander.

Endler Marcel Borges, Matheus Fernandes Filgueiras

Version 1 posted 25 October 2021

1,444

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Inorganic Chemistry

Structural and Electronic Properties of Aqueous Transition−Metal−Substituted Polyoxotungstates

Jake Thompson, Rebeca Gonzalez-Cabaleiro, Laia Vilà-Nadal

Version 1 posted 07 November 2022

223

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Water and Cu+ synergy in selective CO2 hydrogenation to methanol over Cu/MgO catalysts

Estefanía Fernández Villanueva, Pablo Lustemberg, Minjie Zhao, Jose Soriano Rodriguez, Patricia Concepción, M. Verónica Ganduglia Pirovano

Version 1 posted 28 December 2023

213

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