QUÍMICA TEÓRICA Y COMPUTACIONAL
QTCOVI
Donostia International Physics Center
San Sebastián, EspañaPublicaciones en colaboración con investigadores/as de Donostia International Physics Center (11)
2024
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Intramolecular singlet fission: Quantum dynamical simulations including the effect of the laser field
Journal of Chemical Physics, Vol. 160, Núm. 19
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Metastability and polymorphism in dihydroxybenzenes - implications for thermal energy storage
Energy Advances, Vol. 3, Núm. 2, pp. 413-418
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Non-adiabatic electronic relaxation of tetracene from its brightest singlet excited state
Journal of Chemical Physics, Vol. 161, Núm. 2
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Simple Encoded Circularly Polarized Protein Lighting
Advanced Optical Materials, Vol. 12, Núm. 18
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[Ag(IPr)(bpy)][PF6]: brightness and darkness playing with aggregation induced phosphorescence for light-emitting electrochemical cells
Dalton Transactions, Vol. 53, Núm. 29, pp. 12307-12315
2023
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Dual-Phosphorescent Heteroleptic Silver(I) Complex in Long-Lasting Red Light-Emitting Electrochemical Cells
Advanced Optical Materials, Vol. 11, Núm. 15
2022
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Designing Artificial Fluorescent Proteins: Squaraine-LmrR Biophosphors for High Performance Deep-Red Biohybrid Light-Emitting Diodes
Advanced Functional Materials, Vol. 32, Núm. 17
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Parallel versus Twisted Pentacenes: Conformational Impact on Singlet Fission
Journal of Physical Chemistry Letters, Vol. 13, Núm. 23, pp. 5094-5100
2021
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Molecular Transistor Controlled through Proton Transfer
Journal of Physical Chemistry Letters, Vol. 12, Núm. 1, pp. 413-417
2019
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Nine questions on energy decomposition analysis
Journal of Computational Chemistry, Vol. 40, Núm. 26, pp. 2248-2283
2016
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Fermi and Coulomb correlation effects upon the interacting quantum atoms energy partition
Theoretical Chemistry Accounts, Vol. 135, Núm. 9