Iben Sig Buur Bækgaard

Iben Sig Buur Bækgaard

Undervisningsassistent

DTU COMPUTE
Institut for Matematik og Computer Science

Danmarks Tekniske Universitet

Richard Petersens Plads

Bygning 321, rum 005

2800 Kgs. Lyngby

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Publikationer
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2009
2008
 

Trends in the Catalytic CO Oxidation Activity of Nanoparticles

Nørskov, Jens Kehlet ; Falsig, Hanne ; Larsen, Britt Hvolbæk ; Bækgaard, Iben Sig Buur ; Jiang, Tao ; Bligaard, Thomas ; Christensen, Claus H.
in journal: Angewandte Chemie - International Edition (ISSN: 1433-7851) (DOI: http://dx.doi.org/10.1002/anie.200801479), vol: 47, issue: 26, pages: 4835-4839, 2008

Type: Journal article (Peer reviewed)

Status: Published     |    År: 2008     |    DOI: http://dx.doi.org/10.1002/anie.200801479

 

Comparative study of anchoring groups for molecular electronics: structure and conductance of Au-S-Au and Au-NH2-Au junctions

Bækgaard, Iben Sig Buur ; Mowbray, Duncan ; Thygesen, Kristian Sommer ; Jacobsen, Karsten Wedel
in journal: Journal of Physics: Condensed Matter (ISSN: 0953-8984) (DOI: http://dx.doi.org/10.1088/0953-8984/20/37/374101), vol: 20, issue: 37, pages: 374101, 2008

Type: Journal article (Peer reviewed)

Status: Published     |    År: 2008     |    DOI: http://dx.doi.org/10.1088/0953-8984/20/37/374101

  PDF

Benchmark density functional theory calculations for nanoscale conductance

Strange, Mikkel ; Bækgaard, Iben Sig Buur ; Thygesen, Kristian Sommer ; Jacobsen, Karsten Wedel
in journal: Journal of Chemical Physics (ISSN: 0021-9606) (DOI: http://dx.doi.org/10.1063/1.2839275), vol: 128, issue: 11, pages: 114714, 2008

Type: Journal article (Peer reviewed)

Status: Published     |    År: 2008     |    DOI: http://dx.doi.org/10.1063/1.2839275

2007
  PDF

Evidence for a single hydrogen molecule connected by an atomic chain

Kiguchi, M. ; Stadler, Robert ; Bækgaard, Iben Sig Buur ; Djukic, D. ; van Ruitenbeek, J.M.
in journal: Physical Review Letters (ISSN: 0031-9007) (DOI: http://dx.doi.org/10.1103/PhysRevLett.98.146802), vol: 98, issue: 14, pages: 146802, 2007

Type: Journal article (Peer reviewed)

Status: Published     |    År: 2007     |    DOI: http://dx.doi.org/10.1103/PhysRevLett.98.146802

2003
 

beta-sheet preferences from first principles

Rossmeisl, Jan ; Bækgaard, Iben Sig Buur ; Gregersen, Misha Marie ; Nørskov, Jens Kehlet ; Jacobsen, Karsten Wedel
in journal: American Chemical Society. Journal (ISSN: 0002-7863) (DOI: http://dx.doi.org/10.1021/ja0359658), vol: 125, issue: 52, pages: 16383-16386, 2003

Type: Journal article (Peer reviewed)

Status: Published     |    År: 2003     |    DOI: http://dx.doi.org/10.1021/ja0359658