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Theoretical and Computational Chemistry

Working Paper

Local Spin and Open Quantum Systems: Clarifying Misconceptions, Unifying Approaches

Angel Martín Pendás, Evelio Francisco

Version 1 posted 06 November 2020

705

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Physical Chemistry

Working Paper

Chemical Bonding in Excited States: Electron Localization, Delocalization and Statistics in Real Space

José Luis Casals-Sainz, Jesús Jara-Cortés, Jesús Hernández-Trujillo, José Manuel Guevara-Vela, Evelio Francisco, Angel Martín Pendás

Version 1 posted 30 April 2019

773

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Theoretical and Computational Chemistry

Working Paper

Computational simulations of Ru(II) complexes with coordinated jaborandi ligands and their potential for interaction with Trypanosoma cruzi proteases

Ézio Raul Alves de Sá, Ricardo Martins Ramos, Francisco das Chagas Alves Lima

Version 1 posted 08 May 2024

161

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Theoretical and Computational Chemistry

Working Paper

Embedded machine-readable molecular representation for more resource-efficient deep learning applications

Emilio Nuñez-Andrade, Isaac Vidal-Daza, James Ryan, Rafael Gomez-Bombarelli, Francisco J. Martin-Martinez

Version 1 posted 07 August 2024

359

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Organic Chemistry

Working Paper

Pentaminomycins F and G, First Non-Ribosomal Peptides Containing 2-Pyridylalanine

Daniel Carretero-Molina, Francisco Javier Ortiz-Lopez, Jesús Martín, Ignacio González, Marina Sánchez-Hidalgo, Fernando Román-Hurtado, Caridad Díaz, Mercedes de la Cruz, Olga Genilloud, Fernando Reyes

Version 1 posted 09 November 2020

612

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2

Citations

Inorganic Chemistry

Working Paper

Facile access to heterobimetallic MII/CuI complexes with a multichelate platform and their response towards CO2RR.

Samantha L. Peralta-Arriaga, Carlos García Bellido, Miguel Angel Martín-Neri, Francisco José Fernández-de-Córdova, Marc Robert, Orestes Rivada Wheelaghan

Version 1 posted 02 July 2024

272

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1

Citations

Analytical Chemistry

Working Paper

Click Chemistry-Driven Dual Nanosystem for miR-122 Detection with Single-Base Specificity from Tumour Cells

Agustín Robles-Remacho, Ismael Martos-Jamai, Mavys Tabraue-Chávez, Araceli Aguilar-González, Jose Antonio Laz-Ruiz, Victoria Cano-Cortés, Francisco Javier López-Delgado, Juan Jose Guardia-Monteagudo, Salvatore Pernagallo, Juan Jose Diaz-Mochon, Rosario Maria Sanchez-Martin

Version 1 posted 10 September 2024

173

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Catalysis

Working Paper

Adjusting the Operational Potential Window as a Tool for Prolonging the Durability of Carbon-supported Pt-alloy Nanoparticles as Oxygen Reduction Reaction Electrocatalysts

Tina Đukić, Léonard Jean Moriau, Iva Klofutar, Martin Šala, Luka Pavko, Francisco Javier González López, Francisco Ruiz-Zepeda, Andraž Pavlišič, Miha Hotko, Matija Gatalo, Nejc Hodnik

Version 1 posted 19 October 2023

294

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Physical Chemistry

Working Paper

Quantum Chemical Topology as a Theory of Open Quantum Systems

Angel Martín Pendás, Evelio Francisco

Version 1 posted 02 November 2018

956

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Theoretical and Computational Chemistry

Working Paper

DFT Performance in the IQA Energy Partition of Small Water Clusters

Fernando Jiménez-Grávalos, José Luis Casals-Sainz, Evelio Francisco, Tomás Rocha-Rinza, Angel Martín Pendás, Jose Manuel Guevara-Vela

Version 1 posted 12 August 2019

616

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Refine Search

18 results in Francisco Martins in Authors: Francisco Martins

Local Spin and Open Quantum Systems: Clarifying Misconceptions, Unifying Approaches

Chemical Bonding in Excited States: Electron Localization, Delocalization and Statistics in Real Space

Computational simulations of Ru(II) complexes with coordinated jaborandi ligands and their potential for interaction with Trypanosoma cruzi proteases

Embedded machine-readable molecular representation for more resource-efficient deep learning applications

Pentaminomycins F and G, First Non-Ribosomal Peptides Containing 2-Pyridylalanine

Facile access to heterobimetallic MII/CuI complexes with a multichelate platform and their response towards CO2RR.

Click Chemistry-Driven Dual Nanosystem for miR-122 Detection with Single-Base Specificity from Tumour Cells

Adjusting the Operational Potential Window as a Tool for Prolonging the Durability of Carbon-supported Pt-alloy Nanoparticles as Oxygen Reduction Reaction Electrocatalysts

Quantum Chemical Topology as a Theory of Open Quantum Systems

DFT Performance in the IQA Energy Partition of Small Water Clusters

18 results in Authors: Francisco Martins