Marcos Mandado

Professor

Universidade de Vigo

Spain

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Professor Marcos Mandado is a faculty member at the University of Vigo, Spain. His research areas encompass molecular diodes, aromaticity, organometallic species, and the simulation of pollutants detection. He has contributed significantly to the field with recent publications focusing on quantum mechanics, molecular mechanics, and environmental chemistry.

Articles (13)

Year:

2025

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2025

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2023

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2023

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2023

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2023

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2022

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2021

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2021

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2021

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2021

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2021

Year:

2020

Collaborators (4)

Sergio Díaz-Tendero

Universidad Autónoma de Madrid

SPAIN

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Nicolás Ramos-Berdullas

Universidade de Vigo

SPAIN

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Juan J. Nogueira

Universidad Autónoma de Madrid

SPAIN

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Jose M. Hermida-Ramon

Universidade de Vigo

SPAIN

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Marcos Mandado

Research Interests

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About

Articles (13)

Decoding the Architecture of Molecular Diodes: Rational Design for Ideal Rectification

α/β Conflicting Aromaticity Under the Microscope: Study of Pro‐Aromatic Radicals

Simulating the Detection of Dioxin-like Pollutants with 2D Surface-Enhanced Raman Spectroscopy Using h-BNC Substrates

Effect of the QM Size, Basis Set, and Polarization on QM/MM Interaction Energy Decomposition Analysis

MoBioTools: A toolkit to setup quantum mechanics/molecular mechanics calculations

Metastable Charged Dimers in Organometallic Species: A Look into Hydrogen Bonding between Metallocene Derivatives

On the Permeation of Polychlorinated Dibenzodioxins and Dibenzofurans through Lipid Membranes: Classical MD and Hybrid QM/MM-EDA Analysis

A Highly Efficient Neutral Anion Receptor in Polar Environments by Synergy of Anion−π Interactions and Hydrogen Bonding

Tracking the Transition from Pericyclic to Pseudopericyclic Reaction Mechanisms Using Multicenter Electron Delocalization Analysis: The [1,3] Sigmatropic Rearrangement

On the adsorption affinity of graphene and white graphene sheets by dioxin‐like pollutants

Characterization of cisplatin/membrane interactions by QM/MM energy decomposition analysis

The effect of spin polarization on the electron transport of molecular wires with diradical character

Clar Goblet and Aromaticity Driven Multiradical Nanographenes

Collaborators (4)

Sergio Díaz-Tendero

Nicolás Ramos-Berdullas

Juan J. Nogueira

Jose M. Hermida-Ramon

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