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Spin Diffusion Transfer Difference (SDTD) NMR: An Advanced Method for the Characterisation of Water Structuration Within Particle Networks

Valeria Gabrielli, Agne Kuraite, Marcelo Alves da Silva, Karen J. Edler, Jesús Angulo, Ridvan Nepravishta, Juan C. Muñoz-García, Yaroslav Khimyak

Version 1 posted 07 August 2020

267

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Materials Chemistry

Working Paper

Diastereomeric Configuration Drives an On-Surface Specific Rearrangement into Low Bandgap Non-Benzenoid Graphene Nanoribbons.

Federico Villalobos, Jesús I. Mendieta-Moreno, Jorge Lobo-Checa, Sara P. Morcillo, José I. Martínez, José María Gómez-Fernández, Pedro L. de Andres, José A. Martin-Gago, Juan M. Cuerva, Araceli G. Campaña, Carlos Sánchez-Sánchez

Version 1 posted 17 July 2024

247

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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

1,154

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2

Citations

Biological and Medicinal Chemistry

Working Paper

Fast Quantitative Validation of 3D Models of Low-Affinity Protein-Ligand Complexes by STD NMR Spectroscopy

Ridvan Nepravishta, Jonathan Ramírez-Cárdenas, Gabriel Rocha, Samuel Walpole, Thomas Hicks, Juan Carlos Muñoz-García, Jesus Angulo

Version 2 posted 11 July 2023

3,559

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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

134

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Catalysis

Working Paper

An Open-Shell IrII/IrIV Redox Couple Outperforms the Conventional IrI/IrIII Pair for the Catalytic Isomerization of Olefins

Alejandra Pita-Milleiro, Nereida Hidalgo, Juan J. Moreno, Israel Fernandez, Jesus Campos

Version 1 posted 09 May 2024

166

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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

140

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Materials Chemistry

Working Paper

TiO2/WO3/graphene for photocatalytic H2 generation and benzene removal: widely employed still an ambiguous system

Alaoui Chakib, Karmaoui Mohamed, Ahmed Bekka, Miroslava Filip Edelmannová, Juan Jesus, javier navas, Touati Wassila, Imene Kadi allah, Bruno Figueiredoe, Joao Antonio Labrincha, Kamila Koci, David Maria Tobaldi

Version 2 posted 09 February 2023

850

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Materials Science

Working Paper

Bottom-up Chemoenzymatic Synthesis Towards Novel Fluorinated Cellulose-like Materials

Peterson de Andrade, Juan C. Muñoz-García, Giulia Pergolizzi, Valeria Gabrielli, Sergey Nepogodiev, Dinu Iuga, Laszlo Fábián, Rinat Nigmatullin, Marcus A. Johns, Robert Harniman, Stephen J. Eichhorn, Jesús Angulo, Yaroslav Khimyak, Robert Field

Version 1 posted 13 January 2020

801

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Inorganic Chemistry

Working Paper

Tuning Activity and Selectivity During Alkyne Activation by Gold(I)/Platinum(0) Frustrated Lewis Pairs

Nereida Hidalgo, Juan Jose Moreno, Marina Pérez-Jiménez, Celia Maya, Joaquin López-Serrano, Jesus Campos

Version 2 posted 08 May 2020

1,020

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19 results in Juan Jesus in Authors: Juan Jesus

Spin Diffusion Transfer Difference (SDTD) NMR: An Advanced Method for the Characterisation of Water Structuration Within Particle Networks

Diastereomeric Configuration Drives an On-Surface Specific Rearrangement into Low Bandgap Non-Benzenoid Graphene Nanoribbons.

MoBioTools: A Toolkit to Setup QM/MM Calculations

Fast Quantitative Validation of 3D Models of Low-Affinity Protein-Ligand Complexes by STD NMR Spectroscopy

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

An Open-Shell IrII/IrIV Redox Couple Outperforms the Conventional IrI/IrIII Pair for the Catalytic Isomerization of Olefins

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

TiO2/WO3/graphene for photocatalytic H2 generation and benzene removal: widely employed still an ambiguous system

Bottom-up Chemoenzymatic Synthesis Towards Novel Fluorinated Cellulose-like Materials

Tuning Activity and Selectivity During Alkyne Activation by Gold(I)/Platinum(0) Frustrated Lewis Pairs

19 results in Authors: Juan Jesus