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8 results in Authors: Sergio Díaz-Tendero

Theoretical and Computational Chemistry

Working Paper

Modelling One-Electron Oxidation Potentials and Hole Delocalization in Double-Stranded DNA by Multilayer and Dynamic Approaches

Jesús Lucia-Tamudo, Sergio Díaz-Tendero, Juan Jose Nogueira

Version 1 posted 29 March 2024

141

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Theoretical and Computational Chemistry

Working Paper

Charge Transfer Mechanism in Guanine-based Self-Assembled Monolayers on a Gold Surface

Jesús Lucia-Tamudo, Juan Jose Nogueira, Sergio Díaz-Tendero

Version 1 posted 16 November 2023

126

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Theoretical and Computational Chemistry

Working Paper

Effect of Weak Intermolecular Interactions on the Ionization of Benzene Derivatives Dimers

Jesús Lucia-Tamudo, Rubén López-Sánchez, Sergio Díaz-Tendero, Juan J. Nogueira

Version 1 posted 08 July 2024

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Theoretical and Computational Chemistry

Working Paper

One-Electron Oxidation Potentials and Hole Delocalization in Heterogeneous Single-Stranded DNA

Jesús Lucia-Tamudo, Manuel Alcamí, Sergio Díaz-Tendero, Juan José Nogueira

Version 1 posted 20 June 2023

107

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Theoretical and Computational Chemistry

Working Paper

Computation of Oxidation Potentials of Solvated Nucleobases by Static and Dynamic Multilayer Approaches

Jesús Lucia-Tamudo, Gustavo Cárdenas, Nuria Anguita-Ortiz, Sergio Díaz-Tendero, Juan J. Nogueira

Version 1 posted 12 January 2022

309

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Theoretical and Computational Chemistry

Working Paper

Intramolecular and Intermolecular Hole Delocalization Rules the Reducer Character of Isolated Nucleobases and Homogeneous Single-Stranded DNA

Jesús Lucia-Tamudo, Sergio Díaz-Tendero, Juan Jose Nogueira

Version 1 posted 24 February 2023

124

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Theoretical and Computational Chemistry

Working Paper

An Efficient Multilayer Approach to Model DNA-Based Nano-Biosensors

Jesús Lucia-Tamudo, Juan Jose Nogueira, Sergio Díaz-Tendero

Version 1 posted 22 September 2022

137

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Theoretical and Computational Chemistry

Working Paper

MoBioTools: A Toolkit to Setup QM/MM Calculations

Gustavo Cárdenas, Jesús Lucia-Tamudo, Henar Mateo-delaFuente, Vito F. Palmisano, Nuria Anguita-Ortiz, Lorena Ruano, Álvaro Pérez-Barcia, Sergio Díaz-Tendero, Marcos Mandado, Juan Jose Nogueira

Version 1 posted 11 May 2022

1,164

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8 results in Sergio Díaz-Tendero in Authors: Sergio Díaz-Tendero

Modelling One-Electron Oxidation Potentials and Hole Delocalization in Double-Stranded DNA by Multilayer and Dynamic Approaches

Charge Transfer Mechanism in Guanine-based Self-Assembled Monolayers on a Gold Surface

Effect of Weak Intermolecular Interactions on the Ionization of Benzene Derivatives Dimers

One-Electron Oxidation Potentials and Hole Delocalization in Heterogeneous Single-Stranded DNA

Computation of Oxidation Potentials of Solvated Nucleobases by Static and Dynamic Multilayer Approaches

Intramolecular and Intermolecular Hole Delocalization Rules the Reducer Character of Isolated Nucleobases and Homogeneous Single-Stranded DNA

An Efficient Multilayer Approach to Model DNA-Based Nano-Biosensors

MoBioTools: A Toolkit to Setup QM/MM Calculations

8 results in Authors: Sergio Díaz-Tendero