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Theoretical and Computational Chemistry

Working Paper

Questioning the orbital picture of magnetic spin coupling: a real space alternative

Ángel Martín Pendás, Evelio Francisco

Version 1 posted 28 July 2021

379

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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

651

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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

928

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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

766

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Physical Chemistry

Working Paper

A Chemical Theory of Topological Insulators

Angel Martín Pendás, Julia Contreras-García, Fernanda Pinilla, José Daniel Mella, Carlos Cárdenas, Francisco Muñoz

Version 1 posted 28 January 2019

827

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1

Citations

Physical Chemistry

Working Paper

Revitalizing the Concept of Bond Order Through Delocalization Measures in Real Space

Carlos Outeiral, Mark Vincent, Ángel Martín Pendás, Paul L. A. Popelier

Version 1 posted 22 March 2018

842

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Theoretical and Computational Chemistry

Working Paper

Reply to “On the existence of collective interactions”

Vojtech Sadek, Shahin Sowlati-Hashjin, SeyedAbdolreza Sadjadi, Mikko Karttunen, Angel Martin-Pendas, Cina Foroutan-Nejad

Version 1 posted 30 January 2023

219

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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

603

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Physical Chemistry

Working Paper

Calculation of the ELF in the excited state with single determinant methods

Andrea Echeverri, Miguel Gallegos, Tatiana Gómez, Angél Martín Pendás, Carlos Cárdenas

Version 1 posted 19 January 2023

176

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Theoretical and Computational Chemistry

Review

Linnett is back: understanding chemical bonds through the lens of Born maxima

María Menéndez-Herrero, Evelio Francisco, Angel Martín Pendás

Version 1 posted 09 December 2024

100

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Refine Search

10 results in Angél Martín Pendás in Authors: Angél Martín Pendás

Questioning the orbital picture of magnetic spin coupling: a real space alternative

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

Quantum Chemical Topology as a Theory of Open Quantum Systems

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

A Chemical Theory of Topological Insulators

Revitalizing the Concept of Bond Order Through Delocalization Measures in Real Space

Reply to “On the existence of collective interactions”

DFT Performance in the IQA Energy Partition of Small Water Clusters

Calculation of the ELF in the excited state with single determinant methods

Linnett is back: understanding chemical bonds through the lens of Born maxima

10 results in Authors: Angél Martín Pendás