Marcos Mandado (Marcos Mandado Alonso)

Scopus Author ID ORCID

Publication Activity (10 Years)

Years Active: 2019-2023
Publications (10 Years): 21

Top Venues

Journal of chemical information and modeling

Membranes

Journal of computational chemistry

Physical chemistry chemical physics : PCCP

University of Vigo

University of Vigo (PHD)

This page only lists publications with an associated author ORCID identifier.

Affiliation History

University of Vigo Mar 14 2012

Spain

Professor :: Physical Chemistry

Education History

University of Vigo

Spain

PHD

Publications

Álvaro Pérez-Barcia, Gustavo Cárdenas, Juan J Nogueira, Marcos Mandado
Effect of the QM Size, Basis Set, and Polarization on QM/MM Interaction Energy Decomposition Analysis. Journal of chemical information and modeling 63 (3) (2023)
Álvaro Pérez-Barcia, Gustavo Cárdenas, Juan J Nogueira, Marcos Mandado
Effect of the QM Size, Basis Set, and Polarization on QM/MM Interaction Energy Decomposition Analysis. Journal of chemical information and modeling 63 (3) (2023)
Carlos Martín-Fernández, Maxime Ferrer, Ibon Alkorta, M Merced Montero-Campillo, Jose Elguero, Marcos Mandado
Metastable Charged Dimers in Organometallic Species: A Look into Hydrogen Bonding between Metallocene Derivatives. Inorganic chemistry (2023)
Álvaro Pérez-Barcia, Gustavo Cárdenas, Juan J Nogueira, Marcos Mandado
Effect of the QM Size, Basis Set, and Polarization on QM/MM Interaction Energy Decomposition Analysis. Journal of chemical information and modeling 63 (3) (2023)
Álvaro Pérez-Barcia, Gustavo Cárdenas, Juan J Nogueira, Marcos Mandado
Effect of the QM Size, Basis Set, and Polarization on QM/MM Interaction Energy Decomposition Analysis. Journal of chemical information and modeling 63 (3) (2023)
Álvaro Pérez-Barcia, Gustavo Cárdenas, Juan J Nogueira, Marcos Mandado
Effect of the QM Size, Basis Set, and Polarization on QM/MM Interaction Energy Decomposition Analysis. Journal of chemical information and modeling (2023)
Raúl Alvarado, Gustavo Cárdenas, Juan J Nogueira, Nicolás Ramos-Berdullas, Marcos Mandado
On the Permeation of Polychlorinated Dibenzodioxins and Dibenzofurans through Lipid Membranes: Classical MD and Hybrid QM/MM-EDA Analysis. Membranes 13 (1) (2022)
Raúl Alvarado, Gustavo Cárdenas, Juan J Nogueira, Nicolás Ramos-Berdullas, Marcos Mandado
On the Permeation of Polychlorinated Dibenzodioxins and Dibenzofurans through Lipid Membranes: Classical MD and Hybrid QM/MM-EDA Analysis. Membranes 13 (1) (2022)
Gustavo Cárdenas, Jesús Lucia-Tamudo, Henar Mateo-delaFuente, Vito F Palmisano, Nuria Anguita-Ortiz, Lorena Ruano, Álvaro Pérez-Barcia, Sergio Diaz-Tendero, Marcos Mandado, Juan J Nogueira
MoBioTools: A toolkit to setup quantum mechanics/molecular mechanics calculations. Journal of computational chemistry 44 (4) (2022)
Raúl Alvarado, Gustavo Cárdenas, Juan J Nogueira, Nicolás Ramos-Berdullas, Marcos Mandado
On the Permeation of Polychlorinated Dibenzodioxins and Dibenzofurans through Lipid Membranes: Classical MD and Hybrid QM/MM-EDA Analysis. Membranes 13 (1) (2022)
Gustavo Cárdenas, Jesús Lucia-Tamudo, Henar Mateo-delaFuente, Vito F Palmisano, Nuria Anguita-Ortiz, Lorena Ruano, Álvaro Pérez-Barcia, Sergio Diaz-Tendero, Marcos Mandado, Juan J Nogueira
MoBioTools: A toolkit to setup quantum mechanics/molecular mechanics calculations. Journal of computational chemistry 44 (4) (2022)
Gustavo Cárdenas, Jesús Lucia-Tamudo, Henar Mateo-delaFuente, Vito F Palmisano, Nuria Anguita-Ortiz, Lorena Ruano, Álvaro Pérez-Barcia, Sergio Diaz-Tendero, Marcos Mandado, Juan J Nogueira
MoBioTools: A toolkit to setup quantum mechanics/molecular mechanics calculations. Journal of computational chemistry (2022)
Raúl Alvarado, Gustavo Cárdenas, Juan J Nogueira, Nicolás Ramos-Berdullas, Marcos Mandado
On the Permeation of Polychlorinated Dibenzodioxins and Dibenzofurans through Lipid Membranes: Classical MD and Hybrid QM/MM-EDA Analysis. Membranes 13 (1) (2022)
Gustavo Cardenas, Álvaro Pérez-Barcia, Marcos Mandado, Juan J Nogueira
Characterization of cisplatin/membrane interactions by QM/MM energy decomposition analysis. Physical chemistry chemical physics : PCCP 23 (36) (2021)
Marta Queizán, Marta Sánchez-Lozano, Marcos Mandado, Jose M Hermida-Ramón
A Highly Efficient Neutral Anion Receptor in Polar Environments by Synergy of Anion-π Interactions and Hydrogen Bonding. Journal of chemical information and modeling 61 (9) (2021)
Álvaro Pérez-Barcia, Ángeles Peña-Gallego, Marcos Mandado
Tracking the Transition from Pericyclic to Pseudopericyclic Reaction Mechanisms Using Multicenter Electron Delocalization Analysis: The [1,3] Sigmatropic Rearrangement. The journal of physical chemistry. A 125 (37) (2021)
Sara Gil-Guerrero, Manuel Melle-Franco, María de Los Ángeles Peña-Gallego, Marcos Mandado
Clar Goblet and Aromaticity Driven Multiradical Nanographenes. Chemistry (Weinheim an der Bergstrasse, Germany) 26 (68) (2020)
Roberto Baigorri, Javier Erro, Óscar Urrutia, José Manuel Martinez, Marcos Mandado, Manuel Martín Pastor, José M García-Mina
Both chemical and crystalline phase configuration influence the molecular features of humic acids in humic-calcium-phosphates fertilizers. RSC advances 9 (44) (2019)
Sara Gil-Guerrero, Nicolás Otero, Marta Queizán, Marcos Mandado
Potential Application of h-BNC Structures in SERS and SEHRS Spectroscopies: A Theoretical Perspective. Sensors (Basel, Switzerland) 19 (8) (2019)
Sara Gil-Guerrero, Nicolás Ramos-Berdullas, Angel Martin Pendás, Evelio Francisco, Marcos Mandado
Anti-ohmic single molecule electron transport: is it feasible? Nanoscale advances 1 (5) (2019)
Sara Gil-Guerrero, Ángeles Peña-Gallego, Nicolás Ramos-Berdullas, Angel Martin Pendás, Marcos Mandado
Assessing the Reversed Exponential Decay of the Electrical Conductance in Molecular Wires: The Undeniable Effect of Static Electron Correlation. Nano letters 19 (10) (2019)

Marcos Mandado.css-eqlu8i{font-size:small;padding-left:4px;} (Marcos Mandado Alonso)

Publication Activity (10 Years)

Top Topics

Top Venues

Marcos Mandado (Marcos Mandado Alonso)