Publications

Publications with the same authors as the Improving Vibrational Mode Interpretation Using Bayesian Regression publication

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Another Publication in an International Scientific Journal

Strengths, Weaknesses, Opportunities and Threats: Computational Studies of Mn- and Fe-Catalyzed Epoxidations

Teixeira, F (Author) (Other); Natalia N D S Cordeiro (Author) (FCUP)

2017

Indexing

Chapter or Part of a Book

Chapter 11: Supported Vanadium Catalysts: Heterogeneous Molecular Complexes, Electrocatalysis and Biomass Transformation

Cristina Freire (Author) (FCUP); Clara Pereira (Author) (FCUP); Jarrais, B (Author) (Other); Diana M Fernandes (Author) (FCUP); Andreia Peixoto (Author) (FCUP); Natalia N D S Cordeiro (Author) (FCUP); Teixeira, F (Author) (Other)

2021

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Article in International Scientific Journal

Structure and kinetics of water in highly confined conditions: A molecular dynamics simulation study

Giri, AK (Author) (Other); Teixeira, F (Author) (Other); Natalia N D S Cordeiro (Author) (FCUP)

2018

Indexing

Simple descriptors for assessing the outcome of aza-Diels-Alder reactions

Teixeira, F (Author) (Other); Natalia N D S Cordeiro (Author) (FCUP); Cordeiro, DS (Author) (Other)

2015

Indexing

Salt separation from water using graphene oxide nanochannels: A molecular dynamics simulation study

Giri, AK (Author) (Other); Teixeira, F (Author) (Other); Natalia N D S Cordeiro (Author) (FCUP)

2019

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Interactions in the ionic liquid [EMIM][FAP]: a coupled experimental and computational analysis

Voroshylova, IV (Author) (FCUP); Teixeira, F (Author) (Other); Costa, R (Author) (FCUP); Carlos M Pereira (Author) (FCUP); Natalia N D S Cordeiro (Author) (FCUP)

2016

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Exploring rare chemical phenomena using fractional nuclear charges: The cis-effect in N2F2

Teixeira, F (Author) (Other); Andre Melo (Author) (FCUP); Natalia N D S Cordeiro (Author) (FCUP)

2018

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Explainable Supervised Machine Learning Model To Predict Solvation Gibbs Energy

Ferraz Caetano, J (Author) (FCUP); Teixeira, F (Author) (Other); Natalia N D S Cordeiro (Author) (FCUP)

2023

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Effect of van der Waals interactions in the DFT description of self-assembled monolayers of thiols on gold

Jose L C Fajin (Author) (FCUP); Teixeira, F (Author) (Other); Gomes, JRB (Author) (Other); Natalia N D S Cordeiro (Author) (FCUP)

2015

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Driving Forces in the Sharpless Epoxidation Reaction: A Coupled AIMD/QTAIM Study

Teixeira, F (Author) (Other); Mosquera, R (Author) (Other); Andre Melo (Author) (FCUP); Cristina Freire (Author) (FCUP); Natalia N D S Cordeiro (Author) (FCUP)

2017

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Detection of simple inorganic and organic molecules over Cu-decorated circumcoronene: a combined DFT and QTAIM study

Malcek, M (Author) (Other); Bucinsky, L (Author) (Other); Teixeira, F (Author) (Other); Natalia N D S Cordeiro (Author) (FCUP)

2018

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