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César Barrales-Martínez
ORCID
Publication Activity (10 Years)
Years Active: 2021-2023
Publications (10 Years): 4
Top Topics
Molecular Dynamics Simulations
Neural Network
Depressive Symptoms
Single Molecule
Top Venues
Physical chemistry chemical physics : PCCP
Chemphyschem : a European journal of chemical physics and physical chemistry
Chemical science
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This page only lists publications with an associated author ORCID identifier.
Publications
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César Barrales-Martínez
,
Rocío Durán
,
Pablo Jaque
New insights into H 2 activation by intramolecular frustrated Lewis pairs based on aminoboranes: the local electrophilicity index of boron as a suitable indicator to tune the reversibility of the process.
Chemical science
14 (42) (2023)
Rocío Durán
,
César Barrales-Martínez
,
Ricardo A Matute
Hidden intermediate activation: a concept to elucidate the reaction mechanism of the Schmittel cyclization of enyne-allenes.
Physical chemistry chemical physics : PCCP
(2022)
César Barrales-Martínez
,
Pablo Jaque
A deeper analysis of the role of synchronicity on the Bell-Evans-Polanyi plot in multibond chemical reactions: a path-dependent reaction force constant.
Physical chemistry chemical physics : PCCP
24 (24) (2022)
César Barrales-Martínez
,
Soledad Gutiérrez-Oliva
,
Alejandro Toro-Labbé
,
Ángel Martín Pendás
Interacting Quantum Atoms Analysis of the Reaction Force: A Tool to Analyze Driving and Retarding Forces in Chemical Reactions.
Chemphyschem : a European journal of chemical physics and physical chemistry
22 (19) (2021)