Further developments in the local-orbital density-functional-theory tight-binding method

Further developments in the local-orbital density-functional-theory tight-binding method

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http://www.wikidata.org/entity/Q27350347
Large area molybdenum disulphide- epitaxial graphene vertical Van der Waals heterostructuresTwo-step ATP-driven opening of cohesin headModelling energy level alignment at organic interfaces and density functional theory.Fast degenerate correlation-corrected vibrational self-consistent field calculations of the vibrational spectrum of 4-mercaptopyridine.Barrier height formation in organic blends/metal interfaces: case of tetrathiafulvalene-tetracyanoquinodimethane/Au(111).Tailoring structural and electronic properties of RuO2 nanotubes: a many-body approach and electronic transport.Theoretical analysis of electron transport through organic molecules.Conductance switching in diarylethenes bridging carbon nanotubes.Measuring single molecule conductance with break junctions.Charging energy and barrier height of pentacene on Au(111): a local-orbital hybrid-functional density functional theory approach.Carbon tips for all-carbon single-molecule electronics.Stability of polycrystalline and wurtzite Si nanowires via symmetry-adapted tight-binding objective molecular dynamics.Hydrogen dissociation over Au nanowires and the fractional conductance quantum.The role of charge transfer in the energy level alignment at the pentacene/C60 interface."Learn on the fly": a hybrid classical and quantum-mechanical molecular dynamics simulation.Initial Stages of the Contact between a Metallic Tip and Carbon NanotubesReal topography, atomic relaxations, and short-range chemical interactions in atomic force microscopy: The case of theα−Sn∕Si(111)−(3×3)R30°surface
P2860

Further developments in the local-orbital density-functional-theory tight-binding method

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http://www.wikidata.org/entity/Q27350347
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2001 nî lūn-bûn
@nan
2001 թուականի Հոկտեմբերին հրատարակուած գիտական յօդուած
@hyw
2001 թվականի հոտեմբերին հրատարակված գիտական հոդված
@hy
2001年の論文
@ja
2001年論文
@yue
2001年論文
@zh-hant
2001年論文
@zh-hk
2001年論文
@zh-mo
2001年論文
@zh-tw
2001年论文
@wuu
name
Further developments in the local-orbital density-functional-theory tight-binding method
@ast
Further developments in the local-orbital density-functional-theory tight-binding method
@en
Further developments in the local-orbital density-functional-theory tight-binding method
@nl
type
label
Further developments in the local-orbital density-functional-theory tight-binding method
@ast
Further developments in the local-orbital density-functional-theory tight-binding method
@en
Further developments in the local-orbital density-functional-theory tight-binding method
@nl
prefLabel
Further developments in the local-orbital density-functional-theory tight-binding method
@ast
Further developments in the local-orbital density-functional-theory tight-binding method
@en
Further developments in the local-orbital density-functional-theory tight-binding method
@nl
P1433
P1476
P2093
P2860
P31
P3181
P356
P407
P433
P478
P50
P577
P5875
P921
P3181
P356
P1433
P1476
Further developments in the local-orbital density-functional-theory tight-binding method
@en
P2093
P2860
P31
P3181
P356
10.1103/PHYSREVB.64.195103
P407
P433
P478
P50
P577
P5875
P921