Technical University of Denmark

  • DK-2800 Kgs. Lyngby

    Denmark

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Journal article

Ability of Staphylococcus aureus coagulase genotypes to resist neutrophil bactericidal activity and phagocytosis

Aarestrup, F. M., Scott, N. L. & Sordillo, L. M., 1994, In : Infection and Immunity. 62, 12, p. 5679-5682

Research output: Contribution to journalJournal articleResearchpeer-review

Ab initio and kinetic modeling studies of formic acid oxidation

Marshall, P. & Glarborg, P., 2015, In : Proceedings of the Combustion Institute. 35, 1, p. 153–160 8 p.

Research output: Contribution to journalJournal articleResearchpeer-review

Ab Initio Assessment of the Bonding in Disulfonates Containing Divalent Nitrogen and Phosphorus Atoms

Andersen, V. B., Berg, R. W. & Shim, I., 2017, In : ACS Omega. 2, 8, p. 4447-4455

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Ab initio calculation of conformation and vibrational spectrum for the pyrosulfate ion

Dyekjær, J. D., Berg, R. W. & Johansen, H., 2003, In : Journal of Physical Chemistry A. 107, 30, p. 5826-5830

Research output: Contribution to journalJournal articleResearchpeer-review

Ab initio calculation of the electronic spectrum of azobenzene dyes and its impact on the design of optical data storage materials

Åstrand, P-O., Ramanujam, P. S., Hvilsted, S., Bak, K. L. & Sauer, S. P. A., 2000, In : Journal of the American Chemical Society. 122, 14, p. 3482-3487

Research output: Contribution to journalJournal articleResearchpeer-review

Ab initio calculations and kinetic modeling of thermal conversion of methyl chloride: implications for gasification of biomass

Singla, M., Rasmussen, M. L., Hashemi, H., Wu, H., Glarborg, P., Pelucchi, M., Faravelli, T. & Marshall, P., 2018, In : Physical Chemistry Chemical Physics. 20, 16, p. 10741-10752

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Ab Initio Calculations and Raman and SERS Spectral Analyses of Amphetamine Species

Berg, R. W., Nørbygaard, T., White, P. C. & Abdali, S., 2011, In : Applied Spectroscopy Reviews. 46, 2, p. 107-131

Research output: Contribution to journalJournal articleResearchpeer-review

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Ab Initio Calculations of Oxosulfatovanadates

Frøberg, T. & Johansen, H., 1996, In : Acta Chemica Scandinavica. 50, p. 961-966

Research output: Contribution to journalJournal articleResearchpeer-review

Ab initio calculations of partial molar properties in the single-site approximation

Ruban, A. & Skriver, H. L., 1997, In : Physical Review B. 55, 14, p. 8801-8807

Research output: Contribution to journalJournal articleResearchpeer-review

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Ab initio calculations on 2-imidazolyl-2-thiazolyl azo compounds - an investigation of potential near-infrared absorbing structures

Åstrand, P-O., Bak, K. L. & Sauer, S. P. A., 2001, In : Chemical Physics Letters. 343, 1-2, p. 171-177

Research output: Contribution to journalJournal articleResearchpeer-review

Ab initio charge analysis of pure and hydrogenated perovskites

Bork, N. C., Bonanos, N., Rossmeisl, J. & Vegge, T., 2011, In : Journal of Applied Physics. 109, 3, p. 033702

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Ab Initio Configuration Interaction Study of the Rydberg States of the Hydroxymethyl Radical CH2OH

Rettrup, S., Pagsberg, P. B. & Anastasi, C., 1988, In : Chemical Physics. 122, 1, p. 45-51

Research output: Contribution to journalJournal articleResearch

Ab initio current-induced molecular dynamics

Lü, J-T., Leitherer, S., Papior, N. R. & Brandbyge, M., 2020, In : Physical Review B (Condensed Matter and Materials Physics). 101, 20, 201406.

Research output: Contribution to journalJournal articleResearchpeer-review

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Ab initio description of the thermoelectric properties of heterostructures in the diffusive limit of transport

Hinsche, N. F., Rittweger, F., Hölzer, M., Zahn, P., Ernst, A. & Mertig, I., 2016, In : Physica Status Solidi. A: Applications and Materials Science (Print). 213, 3, p. 672–683 12 p.

Research output: Contribution to journalJournal articleResearchpeer-review

Ab initio energetics of LaBO3(001) (B=Mn, Fe, Co, and Ni) for solid oxide fuel cell cathodes

Lee, Y-L., Kleis, J., Rossmeisl, J. & Morgan, D., 2009, In : Physical Review B Condensed Matter. 80, 22, p. 224101

Research output: Contribution to journalJournal articleResearchpeer-review

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1027 Downloads (Pure)

Ab initio full charge-density study of the atomic volume of α-phase Fr, Ra, Ac, Th, Pa, U, Np, and Pu

Vitos, L., Kollár, J. & Skriver, H. L., 1997, In : Physical Review B. 55, 8, p. 4947-4952

Research output: Contribution to journalJournal articleResearchpeer-review

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Ab initio ground state phenylacetylene-argon intermolecular potential energy surface and rovibrational spectrum

Cybulski, H., Fernandez, B., Henriksen, C. & Felker, P. M., 2012, In : Journal of Chemical Physics. 137, 7, 6 p.

Research output: Contribution to journalJournal articleResearchpeer-review

Ab Initio Investigations of the C2F4S Isomers and of Their Interconversions

Shim, I., Vallano-Lorenzo, S., Lisbona-Martin, P. & Senning, A., 2003, In : Journal of Fluorine Chemistry. 124, 1, p. 99-104

Research output: Contribution to journalJournal articleResearchpeer-review

Ab initio Investigations of the Equilibria between Trichlorothioacetyl Chloride, Tetrachlorothiirane, and Trichloroethenesulfenyl Chloride, their Reactants and Decomposition Products

Pedersen, K. V., Christensen, H., Shim, I. & Senning, A. E. E., 2004, In : Journal of Sulfur Chemistry. 25, 2-3, p. 111-123

Research output: Contribution to journalJournal articleResearchpeer-review

Ab initio I-V characteristics of short C-20 chains

Roland, C., Larade, B., Taylor, J. P. & Guo, H., 2002, In : Physical Review B Condensed Matter. 65, 4, p. 041401

Research output: Contribution to journalJournal articleResearchpeer-review

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Ab initio molecular dynamics simulation of hydrogen fluoride at several thermodynamic states

Kreitmeir, M., Bertagnolli, H., Mortensen, J. J. & Parrinello, M., 2003, In : Journal of Chemical Physics. 118, 8, p. 3639-3645

Research output: Contribution to journalJournal articleResearchpeer-review

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529 Downloads (Pure)

Ab initio nonequilibrium quantum transport and forces with the real-space projector augmented wave method

Chen, J., Thygesen, K. S. & Jacobsen, K. W., 2012, In : Physical Review B Condensed Matter. 85, 15, p. 155140

Research output: Contribution to journalJournal articleResearchpeer-review

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349 Downloads (Pure)

Ab initio potential for solids

Chetty, N., Stokbro, K., Jacobsen, K. W. & Nørskov, J. K., 1992, In : Physical Review B. 46, 7, p. 3798-3809

Research output: Contribution to journalJournal articleResearchpeer-review

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2369 Downloads (Pure)

Ab initio quantum-enhanced optical phase estimation using real-time feedback control

Berni, A., Gehring, T., Nielsen, B. M., Händchen, V., Paris, M. G. A. & Andersen, U. L., 2015, In : Nature Photonics. 9, 9, p. 577-582

Research output: Contribution to journalJournal articleResearchpeer-review

Ab initio studies of O-2(-) (H2O)(n) and O-3(-) (H2O)(n) anionic molecular clusters, n

Bork, N. C., Kurten, T., Enghoff, M. A. B., Pedersen, J. O. P., Mikkelsen, K. V. & Svensmark, H., 2011, In : Atmospheric Chemistry and Physics. 11, 14, p. 7133-7142

Research output: Contribution to journalJournal articleResearchpeer-review

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Ab initio studies of O2-(H2O)n and O3-(H2O)n anionic molecular clusters, n≤12

Bork, N. C., Kurtén, T., Enghoff, M. A. B., Pedersen, J. O. P., Mikkelsen, K. V. & Svensmark, H., 2011, In : Atmospheric Chemistry and Physics Discussions. 11, 14, p. 13947-13973

Research output: Contribution to journalJournal articleResearchpeer-review

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459 Downloads (Pure)

Ab initio study of antiphase boundaries and stacking faults in L12 and DO22 compounds

Rosengaard, N. M. & Skriver, H. L., 1994, In : Physical Review B. 50, 7, p. 4848-4858

Research output: Contribution to journalJournal articleResearchpeer-review

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382 Downloads (Pure)

Ab initio study of long-period superstructures in close-packed A3B compounds

Rosengaard, N. M. & Skriver, H. L., 1994, In : Physical Review B. 49, 20, p. 14666-14675

Research output: Contribution to journalJournal articleResearchpeer-review

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378 Downloads (Pure)

Ab initio study of phase equilibria in TiCx

Korzhavyi, P. A., Pourovskii, L. V., Hugosson, H. W., Ruban, A. & Johansson, B., 2002, In : Physical Review Letters. 88, 1, p. 015505

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294 Downloads (Pure)

Ab initio study of spin-dependent transport in carbon nanotubes with iron and vanadium adatoms

Fürst, J. A., Brandbyge, M., Jauho, A-P. & Stokbro, K., 2008, In : Physical Review B Condensed Matter. 78, 19, p. 195405

Research output: Contribution to journalJournal articleResearchpeer-review

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333 Downloads (Pure)

Ab initio study of the CO-N2 complex: a new highly accurate intermolecular potential energy surface and rovibrational spectrum

Cybulski, H., Henriksen, C., Dawes, R., Wang, X-G., Bora, N., Avila, G., Carrington, T. & Fernández, B., 2018, In : Physical Chemistry Chemical Physics. 13 p.

Research output: Contribution to journalJournal articleResearchpeer-review

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Ab initio surface core-level shifts and surface segregation energies

Aldén, M., Skriver, H. L. & Johansson, B., 1993, In : Physical Review Letters. 71, 15, p. 2449-2452

Research output: Contribution to journalJournal articleResearchpeer-review

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361 Downloads (Pure)

Ab Initio Thermodynamic Modeling of Electrified Metal-Oxide Interfaces: Consistent Treatment of Electronic and Ionic Chemical Potentials

Zeng, Z., Hansen, M. H., Greeley, J., Rossmeisl, J. & Björketun, M., 2015, In : W S S A Meeting Abstracts (Online). MA2015-01, 31, 1 p., 201786.

Research output: Contribution to journalJournal articleResearchpeer-review

Ab Initio Thermodynamic Modeling of Electrified Metal–Oxide Interfaces: Consistent Treatment of Electronic and Ionic Chemical Potentials

Zeng, Z., Hansen, M. H., Greeley, J. P., Rossmeisl, J. & Björketun, M. E., 2014, In : Journal of Physical Chemistry C. 118, 39, p. 22663-22671 9 p.

Research output: Contribution to journalJournal articleResearchpeer-review

Ab initio van der waals interactions in simulations of water alter structure from mainly tetrahedral to high-density-like.

Møgelhøj, A., Kelkkanen, K. A., Wikfeldt, K. T., Schiøtz, J., Mortensen, J. J., Pettersson, L. G. M., Lundqvist, B., Jacobsen, K. W., Nilsson, A. & Nørskov, J. K., 2011, In : Journal of Physical Chemistry Part B: Condensed Matter, Materials, Surfaces, Interfaces & Biophysical. 115, 48, p. 14149-14160

Research output: Contribution to journalJournal articleResearchpeer-review

Ab initio vibrations in nonequilibrium nanowires

Jauho, A-P., Engelund, M., Markussen, T. & Brandbyge, M., 2010, In : Journal of Physics: Conference Series (Print). 220, 1, p. 012010

Research output: Contribution to journalJournal articleResearch

Ab initio work function of elemental metals

Skriver, H. L. & Rosengaard, N. M., 1992, In : Physical Review B. 45, 16, p. 9410-9412

Research output: Contribution to journalJournal articleResearchpeer-review

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A Bi-objective efficiency-fairness model for scheduling slots at congested airports

Zografos, K. G. & Jiang, Y., 2019, In : Transportation Research. Part C: Emerging Technologies. 102, p. 336-350

Research output: Contribution to journalJournal articleResearchpeer-review

A biochemical comparison of fungal GH6 cellobiohydrolases

Christensen, S. J., Krogh, K. B. R. M., Spodsberg, N., Borch, K. & Westh, P., 2019, In : Biochemical Journal. 476, 15, p. 2157-2172 16 p.

Research output: Contribution to journalJournal articleResearchpeer-review

A biochemically structured model for ethanol fermentation by Kluyveromyces marxianus: A batch fermentation and kinetic study

Sansonetti, S., Hobley, T. J., Calabrò, V., Villadsen, J. & Sin, G., 2011, In : Bioresource Technology. 102, 16, p. 7513-7520

Research output: Contribution to journalJournal articleResearchpeer-review

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A Biochemically Structured Model for Saccharomyces Cerevisiae

Lei, F., Rotbøll, M. & Jørgensen, S. B., 2001, In : Journal of Biotechnology. 88, 3, p. 205-221

Research output: Contribution to journalJournal articleResearchpeer-review

A biochemical microdevice with an integrated chemiluminescence detector

Jørgensen, A. M., Mogensen, K. B., Kutter, J. P. & Geschke, O., 2003, In : Sensors and Actuators B: Chemical. 90, 1-3, p. 15-21

Research output: Contribution to journalJournal articleResearchpeer-review

A Biocompatible Micro Cell Culture Chamber (µCCC) for the Culturing and On-line Monitoring of Eukaryote Cells

Stangegaard, M., Petronis, S., Jørgensen, A. M., Christensen, C. B. V. & Dufva, H. M., 2006, In : Lab on a Chip. 6, 8, p. 1045 - 1051

Research output: Contribution to journalJournal articleResearchpeer-review

A biocompatible micro cell culture chamber (mu CCC) for the culturing and on-line monitoring of eukaryote cells

Stangegaard, M., Petronis, S., Jørgensen, A. M., Christensen, C. B. V. & Dufva, H. M., 2006, In : Lab on a Chip. 6, 8, p. 1045-1051

Research output: Contribution to journalJournal articleResearchpeer-review

A bioinformatic pipeline to analyze ChIP-exo datasets

Börlin, C. S., Bergenholm, D., Holland, P. & Nielsen, J., 2019, In : Biology Methods and Protocols. 4, 1, bpz011.

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A bioluminescent derivative of Pseudomonas putida KT2440 for deliberate release into the environment

Rodriguez, C. J. R., Mølbak, L., Ramos, J. L. & Molin, S., 2000, In : FEMS Microbiology Ecology. 34, 2, p. 91-102

Research output: Contribution to journalJournal articleResearchpeer-review

A biomarker of collagen type I degradation is associated with cardiovascular events and mortality in patients with atherosclerosis

Nielsen, S. H., Tengryd, C., Edsfeldt, A., Brix, S., Genovese, F., Bengtsson, E., Karsdal, M., Leeming, D. J., Nilsson, J. & Goncalves, I., 2019, In : Journal of Internal Medicine. 285, 1, p. 118-123 6 p.

Research output: Contribution to journalJournal articleResearchpeer-review

A Biomimetic Control Method Increases the Adaptability of a Humanoid Robot Acting in a Dynamic Environment

Capolei, M. C., Angelidis, E., Falotico, E., Lund, H. H. & Tolu, S., 2019, In : Frontiers in Neurorobotics. 13, 18 p., 70.

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