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Constrained DFT for Molecular Junctions.
Nanomaterials (Basel). 2022 Apr 6;12(7):1234. doi: 10.3390/nano12071234.
Nanomaterials (Basel). 2022.
PMID: 35407352
Free PMC article.
Influence of Relativistic Effects on the Contact Formation of Transition Metals.
Calvo MR, Sabater C, Dednam W, Lombardi EB, Caturla MJ, Untiedt C.
Calvo MR, et al. Among authors: dednam w.
Phys Rev Lett. 2018 Feb 16;120(7):076802. doi: 10.1103/PhysRevLett.120.076802.
Phys Rev Lett. 2018.
PMID: 29542952
Free article.
Item in Clipboard
Probability distribution for heat exchange in plastic deformation.
Dednam W, Caturla MJ, Botha AE, SanFabián E, Miralles JA, Louis E.
Dednam W, et al.
Phys Rev E. 2021 Sep;104(3-1):034101. doi: 10.1103/PhysRevE.104.034101.
Phys Rev E. 2021.
PMID: 34654188
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Unraveling the Interplay between Quantum Transport and Geometrical Conformations in Monocyclic Hydrocarbons' Molecular Junctions.
Martinez-Garcia A, de Ara T, Pastor-Amat L, Untiedt C, Lombardi EB, Dednam W, Sabater C.
Martinez-Garcia A, et al. Among authors: dednam w.
J Phys Chem C Nanomater Interfaces. 2023 Nov 27;127(48):23303-23311. doi: 10.1021/acs.jpcc.3c05393. eCollection 2023 Dec 7.
J Phys Chem C Nanomater Interfaces. 2023.
PMID: 38352239
Free PMC article.
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Nonequilibrium Magneto-Conductance as a Manifestation of Spin Filtering in Chiral Nanojunctions.
García-Blázquez MA, Dednam W, Palacios JJ.
García-Blázquez MA, et al. Among authors: dednam w.
J Phys Chem Lett. 2023 Sep 7;14(35):7931-7939. doi: 10.1021/acs.jpclett.3c01922. Epub 2023 Aug 30.
J Phys Chem Lett. 2023.
PMID: 37646507
Free PMC article.
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A Group-Theoretic Approach to the Origin of Chirality-Induced Spin-Selectivity in Nonmagnetic Molecular Junctions.
Dednam W, García-Blázquez MA, Zotti LA, Lombardi EB, Sabater C, Pakdel S, Palacios JJ.
Dednam W, et al.
ACS Nano. 2023 Apr 11;17(7):6452-6465. doi: 10.1021/acsnano.2c11410. Epub 2023 Mar 22.
ACS Nano. 2023.
PMID: 36947721
Free PMC article.
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Chiral Single-Molecule Potentiometers Based on Stapled ortho- Oligo(phenylene)ethynylenes.
Ortuño AM, Reiné P, Álvarez de Cienfuegos L, Márquez IR, Dednam W, Lombardi EB, Palacios JJ, Leary E, Longhi G, Mujica V, Millán A, González MT, Zotti LA, Miguel D, Cuerva JM.
Ortuño AM, et al. Among authors: dednam w.
Angew Chem Int Ed Engl. 2023 Apr 11;62(16):e202218640. doi: 10.1002/anie.202218640. Epub 2023 Mar 6.
Angew Chem Int Ed Engl. 2023.
PMID: 36806838
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