About: Nature of well-defined conductance of amine-anchored molecular junctions: Density functional calculations

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scholarly article in Physical Review B, vol. 76 no. 3, July 2007

Attributes	Values
rdf:type	Item
description	artículu científicu (ast) wetenschappelijk artikel (nl) наукова стаття, опублікована в липні 2007 (uk) article scientifique publié en 2007 (fr) im Juli 2007 veröffentlichter wissenschaftlicher Artikel (de) scholarly article in Physical Review B, vol. 76 no. 3, July 2007 (en)
publication date	wds:Q58100541-FEA0E20E-827C-41A5-A814-7852AA93DFBD
publication date	2007-07-16 00:00:00Z (xsd:dateTime)
language of work or name	wds:Q58100541-81205558-9027-4FBE-85CF-A60A2128157E
language of work or name	English
cites work	wds:Q58100541-33205B85-0501-46B2-A653-760914567356 wds:Q58100541-3C59224A-4201-4EB1-8EF5-2A39459B81F8 wds:Q58100541-494A583C-17E0-4B07-9164-A6AF175E097E wds:Q58100541-57396F74-99CD-426B-BA33-493E016FDFAD wds:Q58100541-5E2D9246-A523-43AA-AD86-0ED1CA229BBC wds:Q58100541-650DF0DD-220D-4E69-8588-227DBAF16F7A wds:Q58100541-68DE92CA-1AD6-4958-B566-E44BA546A8DD wds:Q58100541-69F4235F-875B-46E9-BA12-0BBCC743EC36 wds:Q58100541-6BD24DA8-A7A8-47C2-828E-6DE05BBF2302 wds:Q58100541-A15BA9F3-5922-4043-83E8-4E766A9D253D wds:Q58100541-B38F7D26-ECF0-4E0C-AEE4-7B9892B1610E wds:Q58100541-B8189768-C4E6-4410-893F-7B37D99CA86E wds:Q58100541-B887DFED-1E70-4B1B-8F25-521ABF072828 wds:Q58100541-BBAD16F8-950E-4840-9164-C0201DD58F43 wds:Q58100541-BBBDB081-E002-4FAE-A02C-3260E80D719C wds:Q58100541-D10B75BC-6287-4392-BC25-F3F830565A13 wds:Q58100541-DAFB1B13-9EE8-4323-865D-04813D464316 wds:Q58100541-DCCBD322-44CE-43CE-93A9-4ECEE773F7D5
cites work	Finite Elastic Strain of Cubic Crystals Generalized Gradient Approximation Made Simple Density-functional method for nonequilibrium electron transport Self-interaction correction to density-functional approximations for many-electron systems Quantum properties of atomic-sized conductors The SIESTA method forab initioorder-Nmaterials simulation The structure, energetics, and nature of the chemical bonding of phenylthiol adsorbed on the Au(111) surface: implications for density-functional calculations of molecular-electronic conduction Measurement of single-molecule resistance by repeated formation of molecular junctions Dependence of single-molecule junction conductance on molecular conformation Fermi level alignment in molecular nanojunctions and its relation to charge transfer Dithiocarbamate Anchoring in Molecular Wire Junctions: A First Principles Study Pulling monatomic gold wires with single molecules: an Ab initio simulation. Implementation of aZ-matrix approach within the SIESTA periodic boundary conditions code and its application to surface adsorption First-principles calculations of conductance within a plane wave basis set via non-orthogonal Wannier-type atomic orbitals Orbital Interaction Mechanisms of Conductance Enhancement and Rectification by Dithiocarboxylate Anchoring Group Adsorption and dimerisation of thiol molecules on Au(111) using aZ-matrix approach in density functional theory Contact atomic structure and electron transport through molecules Green's function formalism coupled with Gaussian broadening of discrete states for quantum transport: application to atomic and molecular wires.
author name string	wds:Q58100541-1ED25869-E626-4DE3-A91C-7B069071427C wds:Q58100541-B75D29BF-0EDC-45B7-98C5-468ADFD492E0
author name string	Zhenyu Li D. S. Kosov
rdfs:label	Nature of well-defined conductance of amine-anchored molecular junctions: Density functional calculations (en) Nature of well-defined conductance of amine-anchored molecular junctions: Density functional calculations (nl)
skos:prefLabel	Nature of well-defined conductance of amine-anchored molecular junctions: Density functional calculations (en) Nature of well-defined conductance of amine-anchored molecular junctions: Density functional calculations (nl)
name	Nature of well-defined conductance of amine-anchored molecular junctions: Density functional calculations (en) Nature of well-defined conductance of amine-anchored molecular junctions: Density functional calculations (nl)
title	wds:Q58100541-290DDF9F-6053-42A7-84F8-C8DFA35947BD
title	Nature of well-defined conductance of amine-anchored molecular junctions: Density functional calculations (en)
instance of	wds:Q58100541-43CC5931-6B64-4CF8-BF0E-74F58BB60E26
instance of	scholarly article
published in	wds:Q58100541-D983317E-E003-43D9-AE33-493E86318BF7
published in	Physical Review B
issue	wds:Q58100541-522CE390-E8DE-475B-A9A6-138D5F118E93
volume	wds:Q58100541-BB6AFC8A-B2D1-4280-9CF3-369E6ED3F08E
issue	3
volume	76
DOI	wds:Q58100541-88F00437-0B20-489B-B35D-12591A6372D2
DOI	http://dx.doi.org/10.1103/PHYSREVB.76.035415
DOI	10.1103/PHYSREVB.76.035415
arXiv ID	wds:Q58100541-0E2CAF67-218E-4E40-A09A-8811BAC1652F
arXiv ID	cond-mat/0702507
is about of	https://www.wikidata.org/wiki/Special:EntityData/Q58100541
is cites work of	Mechanically controlled molecular orbital alignment in single molecule junctions Electron transport through single π-conjugated molecules bridging between metal electrodes. Binding configurations and intramolecular strain in single-molecule devices Progress with molecular electronic junctions: meeting experimental challenges in design and fabrication. Super-fermion representation of quantum kinetic equations for the electron transport problem. Length-dependent conductance of molecular wires and contact resistance in metal-molecule-metal junctions. Gating of single molecule transistors: combining field-effect and chemical control. Single molecule bridging between metal electrodes. Controlling single-molecule conductance through lateral coupling of π orbitals Charge Transport through Ferrocene 1,1′-Diamine Single-Molecule Junctions The effect of nitrogen lone-pair interaction on the conduction in a single-molecule junction with amine-Au bonding.
is cites work of	wds:Q51608244-F2750632-5245-49FB-B661-248F7A0B9B14 wds:Q82793235-5D737585-20FC-4B9F-8C71-A6B5A303D697 wds:Q46129457-2E1D16BB-9F19-456B-AF9B-423815B04F3C wds:Q58153485-4AAE74F4-F0F9-479E-A43D-E0ABC3880D58 wds:Q39928258-70C5FEB6-4B97-45B0-B206-01AC25E8F70A wds:Q46629692-B3E8045A-98AE-4CD9-9404-DEC2D6EE3027 wds:Q37981995-DCA9DFBA-6196-4E12-AA52-464CD33A3570 wds:Q38069092-A8D771DD-A525-467E-8F69-59023FF869F0 wds:Q46102415-232B046B-AF4C-4394-8619-5617971B2734 wds:Q52626743-CC1C0519-2BFE-468A-98DF-D1D8C3995CF5 wds:Q83449409-F78609E6-E328-4D13-A380-19F2B2ABACFA

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