Emilio San Fabián

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Universidad de Alicante

Spain

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Recent Grants

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ESTUDIO TEORICO-COMPUTACIONAL DE LAS PROPIEDADES Y PERSPECTIVAS DE APLICACION DE NANOFORMAS ORGANICAS (POLI)RADICALARIAS

Open Date: 2020-09-01

Close Date: 2023-12-01

Grant: Close

Estudio de fenómenos de fisisorción, autoensamblaje y dinámica supramolecular entre superficies de grafeno y nanoanillos orgánicos: Origen molecular y variación de las interacciones energéticas entre nanoformas de carbono para su optimización en procesos...

Open Date: 2018-01-01

Close Date: 2020-01-01

Grant: Close

Propiedades eléctricas, magnéticas y de transporte en materiales nanoestructurados

Open Date: 2016-01-01

Close Date: 2018-12-01

Grant: Close

Propiedades mecánicas, eléctricas y ópticas de moléculas orgánicas y materiales nanoestruturados

Open Date: 2012-01-01

Close Date: 2016-12-01

Grant: Close

ESTUDIO ESPECTROSCÓPICO DE MOLÉCULAS DIATÓMICAS Y TRIATÓMICAS EN PRESENCIA DE CAMPOS EXTERNOS

Open Date: 2011-11-01

Close Date: 2012-04-01

Articles (13)

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Collaborators (6)

Emilia Morallón

Universidad de Alicante

SPAIN

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Yoann Olivier

Prof.

University of Namur

BELGIUM

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Guillermo Chiappe

Full Professor

Universidad de Alicante

SPAIN

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Nathalie Zink Lorre

Assistant Professor

Miguel Hernandez University

SPAIN

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Ángel J. Pérez-Jiménez

Professor

Universidad de Alicante

SPAIN

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Juan Ferrer

Profesor Titular de Universidad/Doctor en Bioquímica y Biología Molecular

Universidad de Alicante

SPAIN

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Emilio San Fabián

Research Interests

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Recent Grants

Articles (13)

Functionalization of Clar’s Goblet Diradical with Heteroatoms: Tuning the Excited-State Energies to Promote Triplet-to-Singlet Conversion

Long-Range Effects in Topologically Defective Arm-Chair Graphene Nanoribbons

Energy calculations for sodium vs. potassium on a prokaryotic voltage-gated sodium channel: a quantum-chemical study

Sulfur-substituted perylenediimides: Easy tunability of the electronic character

Electronic structure of rhombus-shaped nanographenes: system size evolution from closed- to open-shell ground states

Organic Emitters Showing Excited-States Energy Inversion: An Assessment of MC-PDFT and Correlation Energy Functionals Beyond TD-DFT

On the mechanism of electrochemical functionalization of carbon nanotubes with different structures with aminophenylphosphonic acid isomers: an experimental and computational approach

peri-Acenoacene molecules: tuning of the singlet and triplet excitation energies by modifying their radical character

Probability distribution for heat exchange in plastic deformation

Singlet‐Triplet Excited‐State Inversion in Heptazine and Related Molecules: Assessment of TD‐DFT and ab initio Methods

Energy calculations for potassium vs sodium selectivity on potassium channel: an ab initio study

Nonempirical (double‐hybrid) density functionals applied to atomic excitation energies: A systematic basis set investigation

Investigating the (Poly)Radicaloid Nature of Real-World Organic Compounds with DFT-Based Methods

Collaborators (6)

Emilia Morallón

Yoann Olivier

Guillermo Chiappe

Nathalie Zink Lorre

Ángel J. Pérez-Jiménez

Juan Ferrer

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