Related references
Note: Only part of the references are listed.Ab initio density functional study on negative differential resistance in a fused furan trimer
Sabyasachi Sen et al.
JOURNAL OF PHYSICAL CHEMISTRY C (2008)
Ab initio calculations of inelastic transport in atomic/molecular junctions and waveguide effects
Hisao Nakamura
JOURNAL OF PHYSICS-CONDENSED MATTER (2008)
Systematic study on quantum confinement and waveguide effects for elastic and inelastic currents in atomic gold wire: Importance of the phase factor for modeling electrodes
Hisao Nakamura et al.
NANO LETTERS (2008)
Effects of self-interaction corrections on the transport properties of phenyl-based molecular junctions
C. Toher et al.
PHYSICAL REVIEW B (2008)
Algorithm for the construction of self-energies for electronic transport calculations based on singularity elimination and singular value decomposition
Ivan Rungger et al.
PHYSICAL REVIEW B (2008)
Unified description of inelastic propensity rules for electron transport through nanoscale junctions
Magnus Paulsson et al.
PHYSICAL REVIEW LETTERS (2008)
Theory of inelastic tunneling spectroscopy of a single molecule - Competition between elastic and inelastic current
H. Ueba et al.
SURFACE SCIENCE (2007)
Tracing electronic pathways in molecules by using inelastic tunneling spectroscopy
Alessandro Troisi et al.
PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA (2007)
Efficient atomic self-interaction correction scheme for nonequilibrium quantum transport
C. Toher et al.
PHYSICAL REVIEW LETTERS (2007)
The green's function density functional tight-binding (gDFTB) method for molecular electronic conduction
Jeffrey R. Reimers et al.
JOURNAL OF PHYSICAL CHEMISTRY A (2007)
Study of the transport properties of a molecular junction as a function of the distance between the leads
Victor M. Garcia-Suarez et al.
PHYSICA STATUS SOLIDI B-BASIC SOLID STATE PHYSICS (2007)
From tunneling to contact: Inelastic signals in an atomic gold junction from first principles
Thomas Frederiksen et al.
PHYSICAL REVIEW B (2007)
Vibronic coupling in semifluorinated alkanethiol junctions: Implications for selection rules in inelastic electron tunneling spectroscopy
Jeremy M. Beebe et al.
NANO LETTERS (2007)
A priori method for propensity rules for inelastic electron tunneling spectroscopy of single-molecule conduction
Alessio Gagliardi et al.
PHYSICAL REVIEW B (2007)
Inelastic transport theory from first principles: Methodology and application to nanoscale devices
Thomas Frederiksen et al.
PHYSICAL REVIEW B (2007)
Molecular transport junctions: vibrational effects
Michael Galperin et al.
JOURNAL OF PHYSICS-CONDENSED MATTER (2007)
Propensity rules for inelastic electron tunneling spectroscopy of single-molecule transport junctions
Alessandro Troisi et al.
JOURNAL OF CHEMICAL PHYSICS (2006)
An efficient molecular orbital approach for self-consistent calculations of molecular junctions
Hisao Nakamura et al.
JOURNAL OF CHEMICAL PHYSICS (2006)
Electronic control of single-molecule dynamics
Andrew J. Mayne et al.
CHEMICAL REVIEWS (2006)
Development of ab initio calculation for electron transport and the effects of lead and contact structures in molecular electronics
San-Huang Ke et al.
JOURNAL OF COMPUTATIONAL AND THEORETICAL NANOSCIENCE (2006)
Molecular transport junctions: Propensity rules for inelastic electron tunneling spectra
Alessandro Troisi et al.
NANO LETTERS (2006)
Quantum inelastic electron-vibration scattering in molecular wires: Landauer-like versus Green's function approaches and temperature effects
H. Ness
JOURNAL OF PHYSICS-CONDENSED MATTER (2006)
Spin and molecular electronics in atomically generated orbital landscapes -: art. no. 085414
AR Rocha et al.
PHYSICAL REVIEW B (2006)
Inelastic transport through molecules: Comparing first-principles calculations to experiments
M Paulsson et al.
NANO LETTERS (2006)
Universal features of electron-phonon interactions in atomic wires
L de la Vega et al.
PHYSICAL REVIEW B (2006)
Nonequilibrium molecular vibrons: An approach based on the nonequilibrium Green function technique and the self-consistent Born approximation
DA Ryndyk et al.
PHYSICAL REVIEW B (2006)
Electron-vibration interaction in transport through atomic gold wires -: art. no. 245415
JK Viljas et al.
PHYSICAL REVIEW B (2005)
Modeling inelastic phonon scattering in atomic- and molecular-wire junctions
M Paulsson et al.
PHYSICAL REVIEW B (2005)
Ab initio analysis of electron-phonon coupling in molecular devices -: art. no. 146803
N Sergueev et al.
PHYSICAL REVIEW LETTERS (2005)
Models of electrodes and contacts in molecular electronics
SH Ke et al.
JOURNAL OF CHEMICAL PHYSICS (2005)
Modeling the inelastic electron tunneling spectra of molecular wire junctions
A Troisi et al.
PHYSICAL REVIEW B (2005)
Interference and k-point sampling in the supercell approach to phase-coherent transport -: art. no. 0333401
KS Thygesen et al.
PHYSICAL REVIEW B (2005)
Vibrational inelastic scattering effects in molecular electronics
H Ness et al.
PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA (2005)
Inelastic scattering and local heating in atomic gold wires
T Frederiksen et al.
PHYSICAL REVIEW LETTERS (2004)
Theory of inelastic electric current through single molecules
Y Asai
PHYSICAL REVIEW LETTERS (2004)
Single-molecule reactions and spectroscopy via vibrational excitation
M Kawai et al.
PHILOSOPHICAL TRANSACTIONS OF THE ROYAL SOCIETY A-MATHEMATICAL PHYSICAL AND ENGINEERING SCIENCES (2004)
Charge transfer on the nanoscale: Current status
DM Adams et al.
JOURNAL OF PHYSICAL CHEMISTRY B (2003)
Electron transport in molecular wire junctions
A Nitzan et al.
SCIENCE (2003)
Theoretical study of the nonlinear conductance of Di-thiol benzene coupled to Au(111) surfaces via thiol and thiolate bonds
K Stokbro et al.
COMPUTATIONAL MATERIALS SCIENCE (2003)
Single-molecule reaction and characterization by vibrational excitation
Y Kim et al.
PHYSICAL REVIEW LETTERS (2002)
First-principles based matrix Green's function approach to molecular electronic devices: general formalism
YQ Xue et al.
CHEMICAL PHYSICS (2002)
First-principles analysis of molecular conduction using quantum chemistry software
P Damle et al.
CHEMICAL PHYSICS (2002)
Electron transport and phonons in atomic wires
N Agraït et al.
CHEMICAL PHYSICS (2002)
Current-triggered vibrational excitation in single-molecule transistors
S Alavi et al.
CHEMICAL PHYSICS (2002)
Onset of energy dissipation in ballistic atomic wires -: art. no. 216803
N Agraït et al.
PHYSICAL REVIEW LETTERS (2002)
Density-functional method for nonequilibrium electron transport -: art. no. 165401
M Brandbyge et al.
PHYSICAL REVIEW B (2002)
The SIESTA method for ab initio order-N materials simulation
JM Soler et al.
JOURNAL OF PHYSICS-CONDENSED MATTER (2002)
Unified description of molecular conduction: From molecules to metallic wires
PS Damle et al.
PHYSICAL REVIEW B (2001)
Ab initio modeling of quantum transport properties of molecular electronic devices -: art. no. 245407
J Taylor et al.
PHYSICAL REVIEW B (2001)
A relationship between electron-transfer rates and molecular conduction
A Nitzan
JOURNAL OF PHYSICAL CHEMISTRY A (2001)
Symmetry selection rules for vibrationally inelastic tunneling
N Lorente et al.
PHYSICAL REVIEW LETTERS (2001)
Theory of single molecule vibrational spectroscopy and microscopy
N Lorente et al.
PHYSICAL REVIEW LETTERS (2000)
Share Paper
