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Non-trivial length dependence of the conductance and negative differential resistance in atomic molecular wires

Nanotechnology, 2008-11, Vol.19 (45), p.455203-455203

2008

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Conductance oscillations in zigzag platinum chains

Physical review letters, 2005-12, Vol.95 (25), p.256804.1-256804.4, Article 256804

2005

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Spin and molecular electronics in atomically generated orbital landscapes

Physical review. B, Condensed matter and materials physics, 2006-02, Vol.73 (8), Article 085414

2006

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GOLLUM: a next-generation simulation tool for electron, thermal and spin transport

New journal of physics, 2014-09, Vol.16 (9), p.93029-66

2014

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Siesta: Recent developments and applications

The Journal of chemical physics, 2020-05, Vol.152 (20), p.204108-204108

2020

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Defect-Induced Transport Enhancement in Carbon–Boron Nitride–Carbon Heteronanotube Junctions

The journal of physical chemistry letters, 2023-03, Vol.14 (8), p.2056-2064

2023

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Tailoring surface electronic states via strain to control adsorption: O/Cu/Ru(0 0 0 1)

Surface science, 2004-02, Vol.550 (1), p.65-72

2004

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First principles simulations of the magnetic and structural properties of iron

The European physical journal. B, Condensed matter physics, 2004-08, Vol.40 (4), p.371-377

2004

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Effects of acceptor doping on a metalorganic switch: DFT vs. model analysis

Physical chemistry chemical physics : PCCP, 2018, Vol.2 (19), p.13588-13597

2018

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Giant thermopower and figure of merit in single-molecule devices

Physical review. B, Condensed matter and materials physics, 2009-01, Vol.79 (3), Article 033405

2009

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Symmetry-induced quantum interference effects in metalloporphyrin wires

Journal of physics. Condensed matter, 2013-08, Vol.25 (32), p.325501-325501

2013

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Electronics without bridging components

Scientific reports, 2020-01, Vol.10 (1), p.496-496, Article 496

García-Suárez, V. M.

2020

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Localized double phonon scattering and DOS induced thermoelectric enhancement of degenerate nonstoichiometric Li1−xNbO2 compounds

RSC advances, 2017-01, Vol.7 (84), p.53255-53264

2017

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Impact of Fano and Breit-Wigner resonances in the thermoelectric properties of nanoscale junctions

Physical review. B, Condensed matter and materials physics, 2013-12, Vol.88 (23), Article 235417

2013

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Structure and electronic properties of molybdenum monatomic wires encapsulated in carbon nanotubes

Journal of physics. Condensed matter, 2011-07, Vol.23 (26), p.265302-9

2011

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Relationship between strain and the surface electronic structure of Cu(111) films on Ru(0001) : Theory and experiment

Physical review. B, Condensed matter and materials physics, 2005-03, Vol.71 (12), p.125412.1-125412.7, Article 125412

2005

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Impact of edge shape on the functionalities of graphene-based single-molecule electronics devices

Physical review. B, Condensed matter and materials physics, 2012-05, Vol.85 (19), Article 195434

2012

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Impact of dimerization and stretching on the transport properties of molybdenum atomic wires

Nanotechnology, 2010-03, Vol.21 (9), p.095205-095205

2010

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Optimized basis sets for the collinear and non-collinear phases of iron

Journal of physics. Condensed matter, 2004-08, Vol.16 (30), p.5453-5459

2004

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The effect of stretching thiyl– and ethynyl–Au molecular junctions

Journal of physics. Condensed matter, 2008-01, Vol.20 (2), p.025207-025207 (9)

2008

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On determining defects identity in carbon nanotubes using charge probes

Applied surface science, 2016-06, Vol.373, p.13-18

2016

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Single-channel conductance of H2 molecules attached to platinum or palladium electrodes

Physical review. B, Condensed matter and materials physics, 2005-07, Vol.72 (4), p.045437.1-045437.6

2005

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Towards molecular spintronics

Nature materials, 2005-04, Vol.4 (4), p.335-339

2005

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Tuning the conductance of molecular junctions: Transparent versus tunneling regimes

Physical review. B, Condensed matter and materials physics, 2009-08, Vol.80 (8), Article 085426

2009

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Non-trivial length dependence of the conductance and negative differential resistance in atomic molecular wires

Conductance oscillations in zigzag platinum chains

Spin and molecular electronics in atomically generated orbital landscapes

GOLLUM: a next-generation simulation tool for electron, thermal and spin transport

Siesta: Recent developments and applications

Defect-Induced Transport Enhancement in Carbon–Boron Nitride–Carbon Heteronanotube Junctions

Tailoring surface electronic states via strain to control adsorption: O/Cu/Ru(0 0 0 1)

First principles simulations of the magnetic and structural properties of iron

Effects of acceptor doping on a metalorganic switch: DFT vs. model analysis

Giant thermopower and figure of merit in single-molecule devices

Symmetry-induced quantum interference effects in metalloporphyrin wires

S iesta : Recent developments and applications

Electronics without bridging components

Localized double phonon scattering and DOS induced thermoelectric enhancement of degenerate nonstoichiometric Li1−xNbO2 compounds

Impact of Fano and Breit-Wigner resonances in the thermoelectric properties of nanoscale junctions

Structure and electronic properties of molybdenum monatomic wires encapsulated in carbon nanotubes

Relationship between strain and the surface electronic structure of Cu(111) films on Ru(0001) : Theory and experiment

Impact of edge shape on the functionalities of graphene-based single-molecule electronics devices

Impact of dimerization and stretching on the transport properties of molybdenum atomic wires

Optimized basis sets for the collinear and non-collinear phases of iron

The effect of stretching thiyl– and ethynyl–Au molecular junctions

On determining defects identity in carbon nanotubes using charge probes

Single-channel conductance of H2 molecules attached to platinum or palladium electrodes

Towards molecular spintronics

Tuning the conductance of molecular junctions: Transparent versus tunneling regimes

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