Department of Chemistry

2012

The beneficial effect of CO₂ in the low temperature synthesis of high quality carbon nanofibers and thin multiwalled carbon nanotubes from CH₄ over Ni catalysts

Corthals, S., Van Noyen, J., Geboers, J., Vosch, T. A. J., Liang, D., Ke, X., Hofkens, J., Van Tendeloo, G., Jacobs, P. & Sels, B., Feb 2012, In: Carbon. 50, 2, p. 372-384 13 p.

Research output: Contribution to journal › Journal article › Research › peer-review

28 Citations (Scopus)

The density of knobs on Plasmodium falciparum-infected erythrocytes depends on developmental age and varies among isolates

Quadt, K. A., Barfod, L., Andersen, D., Bruun, J., Gyan, B., Hassenkam, T., Ofori, M. F. & Hviid, L., 20 Sept 2012, In: P L o S One. 7, 9, p. e45658

Research output: Contribution to journal › Journal article › Research › peer-review

26 Citations (Scopus)

The Effective Fragment Molecular Orbital Method: The development and application of a parameter free force field

Svendsen, C. S., 2012, Department of Chemistry, Faculty of Science, University of Copenhagen. 160 p.

Research output: Book/Report › Ph.D. thesis

The effective fragment molecular orbital method for fragments connected by covalent bonds

Svendsen, C. S., Fedorov, D. G. & Jensen, J. H., 23 Jul 2012, In: P L o S One. 7, 7, 10 p.

Research output: Contribution to journal › Journal article › Research › peer-review

25 Citations (Scopus)

453 Downloads (Pure)

The effect on chalk recrystallisation after treatment with oxidizing agents

Belova, D., Johnsson, A. M. S., Bovet, N. E., Lakstanov, L. & Stipp, S. L. S., 6 Jan 2012, In: Chemical Geology. 291, p. 217-223 7 p.

Research output: Contribution to journal › Journal article › Research › peer-review

18 Citations (Scopus)

The fate of mercury in Arctic terrestrial and aquatic ecosystems, a review

Douglas, T. A., Loseto, L. L., Macdonald, R. W., Outridge, P., Dommergue, A., Poulain, A., Amyot, M., Barkay, T., Berg, T., Chételat, J., Constant, P., Evans, M., Ferrari, C., Gantner, N., Johnson, M. S., Kirk, J., Kroer, N., Larose, C., Lean, D., Nielsen, T. G., & 7 othersPoissant, L., Rognerud, S., Skov, H., Sørensen, S. J., Wang, F., Wilson, S. & Zdanowicz, C. M., 2012, In: Environmental Chemistry (Online). 9, 4, p. 321-355 35 p.

Research output: Contribution to journal › Review › peer-review

79 Citations (Scopus)

The importance of being exchanged: [Gd^III₄M^II₈(OH)₈(L)₈(O₂CR)₈]⁴⁺ clusters for magnetic refrigeration

Hooper, T. N., Schnack, J., Piligkos, S., Evangelisti, M. & Brechin, E. K., 7 May 2012, In: Angewandte Chemie International Edition. 51, 19, p. 4633-4636 4 p.

Research output: Contribution to journal › Journal article › Research › peer-review

157 Citations (Scopus)

The low salinity effect observed on sandstone model surfaces

Hassenkam, T., Mitchell, A. C., Pedersen, C. S., Skovbjerg, L., Bovet, N. E. & Stipp, S. L. S., 5 Jun 2012, In: Colloids and Surfaces A: Physicochemical and Engineering Aspects. 403, p. 79-86 8 p.

Research output: Contribution to journal › Journal article › Research › peer-review

65 Citations (Scopus)

Theoretical Study of the Triplet Excited State of PtPOP and the Exciplexes M-PtPOP (M=Tl, Ag) in Solution and Comparison with Ultrafast X-ray Scattering Results

Kong, Q., Kjær, K. S., Haldrup, K., Sauer, S. P. A., Brandt van Driel, T., Christensen, M., Nielsen, M. M. & Wulff, M., 17 Jan 2012, In: Chemical Physics. 393, 1, p. 117–122

Research output: Contribution to journal › Journal article › Research › peer-review

11 Citations (Scopus)

Theory and calculation of stopping cross sections of nucleobases for swift ions

Sauer, S. P. A., Oddershede, J. & Sabin, J. R., 2012, Radiation damage in biomolecular systems: biological and medical physics, biomedical engineering. Gómez-Tejedor, G. G. & Fuss, M. C. (eds.). Springer Science+Business Media, p. 191-200 10 p.

Research output: Chapter in Book/Report/Conference proceeding › Book chapter › Research › peer-review

The Paterno-Buchi reaction: importance of triplet states in the excited-state reaction pathway

Brogaard, R. Y., Schalk, O., Boguslavskiy, A. E., Enright, G. D., Hopf, H., Raev, V., Tarcoveanu, E., Sølling, T. I. & Stolow, A., 28 Jun 2012, In: Physical Chemistry Chemical Physics. 14, 24, p. 8572-8580 9 p.

Research output: Contribution to journal › Journal article › Research › peer-review

12 Citations (Scopus)

The protein corona of dendrimers: PAMAM binds and activates complement proteins in human plasma in a generation dependent manner

Åkesson, A. K. L., Cardenas Gomez, M., Elia, G., Monopoli, M. P. & Dawson, K. A., 28 Nov 2012, In: R S C Advances. 2, 30, p. 11245-11248 4 p.

Research output: Contribution to journal › Journal article › Research › peer-review

43 Citations (Scopus)

The ultraviolet spectrum of OCS from first principles: electronic transitions, vibrational structure and temperature dependence

Schmidt, J. A., Johnson, M. S., McBane, G. C. & Schinke, R., 7 Aug 2012, In: Journal of Chemical Physics. 137, 5, 11 p.

Research output: Contribution to journal › Journal article › Research › peer-review

21 Citations (Scopus)

Three-step synthesis of (Thio)xanthene and Dibenzothiepine/Dibenzoxepine by an intramolecular mizoroki–heck reaction of Diaryl (Thio)ethers

Jepsen, T. H., Larsen, M., Jørgensen, M. & Nielsen, M. B., 2012, In: SYNLETT: Accounts and Rapid Communications in Chemical Synthesis. 3, p. 418-422 5 p.

Research output: Contribution to journal › Journal article › Research › peer-review

13 Citations (Scopus)

Total synthesis of biologically active lipoteichoic acids

Pedersen, C. M., Bols, M. & Qiao, Y., 19 Dec 2012, In: ARKIVOC. 2013, 2, p. 249-275 27 p.

Research output: Contribution to journal › Journal article › Research › peer-review

1 Citation (Scopus)

Transparent films based on PLA and montmorillonite with tunable oxygen barrier properties

Hanner, A. J., Åkesson, A. K. L., Cardenas Gomez, M., Bulut, S., Knudsen, J. C., Risbo, J. & Plackett, D., 13 Feb 2012, In: Biomacromolecules. 13, 2, p. 397-405 9 p.

Research output: Contribution to journal › Journal article › Research › peer-review

170 Citations (Scopus)

Twisted molecular magnets

Inglis, R., Milios, C. J., Jones, L. F., Piligkos, S. & Brechin, E. K., 30 Nov 2012, In: Chemical Communications. 48, 2, p. 181-190 10 p.

Research output: Contribution to journal › Journal article › Research › peer-review

80 Citations (Scopus)

Two diastereomeric artificial enzymes with different catalytic activity

Lindbäck, E. A., Zhou, Y., Pedersen, C. M. & Bols, M., Sept 2012, In: European Journal of Organic Chemistry. 2012, 27, p. 5366-5372 7 p.

Research output: Contribution to journal › Journal article › Research › peer-review

6 Citations (Scopus)

Understanding and predicting thermostability: galactanases as experimental model system

Torpenholt, S. K., 2012, Faculty of Science, University of Copenhagen.

Research output: Book/Report › Ph.D. thesis

Unraveling dendrimer translocation across cell membrane mimics

Åkesson, A. K. L., Lind, T. K., Barker, R., Hughes, A. & Cardenas Gomez, M., 11 Sept 2012, In: Langmuir. 28, 36, p. 13025–13033 9 p.

Research output: Contribution to journal › Journal article › Research › peer-review

40 Citations (Scopus)

Vibrational manifestations of strong non-Condon effects in the H3O+·X3 (X = Ar, N2, CH4, H2O) complexes: A possible explanation for the intensity in the “association band” in the vibrational spectrum of water

McCoy, A. B., Guasco, T. L., Leavitt, C. M., Olesen, S. G. & Johnson, M. A., 2012, In: Physical Chemistry Chemical Physics. 14, p. 7205-7214 10 p.

Research output: Contribution to journal › Journal article › Research › peer-review

53 Citations (Scopus)

Water activity

Nielsen, O. F., Bilde, M. & Foverskov, M. F. M., 2012, In: Spectroscopy. 27, 5-6, p. 565-569 5 p.

Research output: Contribution to journal › Journal article › Research › peer-review

3 Citations (Scopus)

X-ray magnetic circular dichroism (XMCD) study of a methoxide-bridged Dy^III-Cr^III cluster obtained by fluoride abstraction from cis-[Cr^IIIF₂(phen)₂]⁺

Dreiser, J., Pedersen, K. S., Birk, T., Schau-Magnussen, M., Piamonteze, C., Rusponi, S., Weyhermüller, T., Brune, H., Nolting, F. & Bendix, J., 2 Aug 2012, In: Journal of Physical Chemistry Part A: Molecules, Spectroscopy, Kinetics, Environment and General Theory. 116, 30, p. 7842–7847 6 p.

Research output: Contribution to journal › Journal article › Research › peer-review

17 Citations (Scopus)

β-Cyclodextrin as a mimetic of the natural GFP-chromophore environment

Cacciarini, M., Nielsen, M. B., de Castro, E. M., Marinescu-Pedersen, L. G. & Bols, M., 22 Feb 2012, In: Tetrahedron Letters. 53, 8, p. 973-976 4 p.

Research output: Contribution to journal › Journal article › Research › peer-review

10 Citations (Scopus)

2011

[Cr(N)(acac)2]: A simple chromium nitride complex and its reactivity towards late transition metals

Hedegaard, E. D., Schau-Magnussen, M. & Bendix, J., May 2011, In: Inorganic Chemistry Communications. 14, p. 719-721 3 p.

Research output: Contribution to journal › Journal article › Research › peer-review

13 Citations (Scopus)

3-Deoxyglucosone is an Intermediate in the Formation of Furfurals from D-Glucose

Jadhav, H. S., Pedersen, C. M., Sølling, T. I. & Bols, M., 22 Aug 2011, In: ChemSusChem. 4, p. 1049-1051

Research output: Contribution to journal › Journal article › Research › peer-review

60 Citations (Scopus)

Ab initio studies of O-2(-) (H2O)(n) and O-3(-) (H2O)(n) anionic molecular clusters, n <= 12

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

Research output: Contribution to journal › Journal article › Research › peer-review

33 Citations (Scopus)

Absorption tuning of the green fluorescent protein chromophore: synthesis and studies of model compounds

Nielsen, M. B., Andersen, L. H. & Rocha-Rinza, T., Jul 2011, In: Monatshefte fuer Chemie. 142, p. 709-715

Research output: Contribution to journal › Journal article › Research › peer-review

4 Citations (Scopus)

Accidentally on purpose: construction of a ferromagnetic, oxime-based [MnIII2] dimer

Inglis, R., Houton, E., Liu, J., Prescimone, A., Cano, J., Piligkos, S., Hill, S., Jones, L. F. & Brechin, E. K., 21 Oct 2011, In: Dalton Transactions. 40, p. 9999-10006

Research output: Contribution to journal › Journal article › Research › peer-review

14 Citations (Scopus)

Acetylene Chemistry: Chlorination Carbo-mers and Novel Insight into the Glaser-Hay Coupling

Vilhelmsen, M. H., 2011, University of Copenhagen.

Research output: Book/Report › Ph.D. thesis

Acetylenic Tetrathiafulvalene Scaffolds - Intramolecular Charge-Transfer Molecules

Lincke, K., Christensen, M. A., Diederich, F. & Nielsen, M. B., Oct 2011, In: Helvetica Chimica Acta. 94, p. 1743-1753

Research output: Contribution to journal › Journal article › Research › peer-review

11 Citations (Scopus)

A compaction front in North Sea chalk

Japsen, P., Dysthe, D. K., Hartz, E. H., Stipp, S. L. S., Yarushina, V. M. & Jamtveit, B., 1 Nov 2011, In: Journal of Geophysical Research: Solid Earth. 116, p. 1-10

Research output: Contribution to journal › Journal article › Research › peer-review

18 Citations (Scopus)

A comparative study of the physicochemical properties of iron isomaltoside 1000 (Monofer®), a new intravenous iron preparation and its clinical implications

Jahn, M. R., Andreasen, H. B., Fütterer, S., Nawroth, T., Schünemann, V., Kolb, U., Hofmeister, W., Muños, M., Bock, K., Meldal, M. P. & Langguth, P., Aug 2011, In: European Journal of Pharmaceutics and Biopharmaceutics. 78, p. 480–491

Research output: Contribution to journal › Journal article › Research › peer-review

166 Citations (Scopus)

A computational study of the oxidation of SO2 to SO3 by gas -phase organic oxidants

Kurten, T., Lane, J. R., Jørgensen, S. & Kjærgaard, H. G., 11 Aug 2011, In: Journal of Physical Chemistry Part A: Molecules, Spectroscopy, Kinetics, Environment and General Theory. 115, p. 8669-8681

Research output: Contribution to journal › Journal article › Research › peer-review

69 Citations (Scopus)

Activity of three ß-1,4-galactanases on small chromogenic substrates

Torpenholt, S. K., Le Nours, J., Christensen, U., Jahn, M., Withers, S., Østergaard, P., Borchert, T. V., Poulsen, J-C. N. & Lo Leggio, L., Sept 2011, In: Carbohydrate Research. 346, p. 2028-2033

Research output: Contribution to journal › Journal article › Research › peer-review

13 Citations (Scopus)

A Family of Calix[4]arene supported [MnIII2MnII2] Clusters

Taylor, S. M., Karotsis, G., McIntosh, R. D., Kennedy, S., Teat, S. J., Beavers, C. M., Wernsdorfer, W., Piligkos, S., Dalgarno, S. J. & Brechin, E. K., 27 Jun 2011, In: Chemistry: A European Journal. 17, p. 7521-7530

Research output: Contribution to journal › Journal article › Research › peer-review

64 Citations (Scopus)

A high field and frequency electron paramagnetic resonance study of the S = 2 chromium(II) complex trans-[Cr(NCCH3)4(FBF3)2] and investigation of its reaction with dioxygen: Crystal structure of [(CH3CN)5CrOCr(NCCH3)5](BF4)4.2CH3CN

Barra, A-L., Døssing, A. R., Morsing, T. & Vibenholt, J. E., 15 Jul 2011, In: Inorganica Chimica Acta. 373, p. 266-269

Research output: Contribution to journal › Journal article › Research › peer-review

17 Citations (Scopus)

Aligning nanodiscs at the air–water interface, a neutron reflectivity study

Wadsäter, M. H., Simonsen, J. B., Lauridsen, T., Tveten, E. G., Naur, P., Bjørnholm, T., Wacklin, H., Mortensen, K., Arleth, L., Feidenhans'l, R. K. & Cardenas Gomez, M., 20 Dec 2011, In: Langmuir. 27, 24, p. 15065-15073 9 p.

Research output: Contribution to journal › Journal article › Research › peer-review

15 Citations (Scopus)

A linear single-molecule magnet based on [Ru(III)(CN)(6)](3-)

Pedersen, K. S., Dreiser, J., Nehrkorn, J., Gysler, M., Schau-Magnussen, M., Schnegg, A., Holldack, K., Bittl, R., Piligkos, S., Weihe, H., Tregenna-Piggott, P., Waldmann, O. & Bendix, J., 2011, In: Chemical Communications. 47, p. 6918-6920

Research output: Contribution to journal › Journal article › Research › peer-review

46 Citations (Scopus)

A microRaman spectroscopic investigation of a Flemish painting from the late 15th Century

Filtenborg, T. & Nielsen, O. F., 2011, In: Asian Chemistry Letters. 15, 4, p. 247-254 8 p.

Research output: Contribution to journal › Journal article › Research › peer-review

An efficient protocol for synthesizing dibenzodithiapentalenes

Jepsen, T. H., Larsen, M., Jørgensen, M. & Nielsen, M. B., 3 Aug 2011, In: Tetrahedron Letters. 52, p. 4045-4047

Research output: Contribution to journal › Journal article › Research › peer-review

8 Citations (Scopus)

An Isofagomine Analogue with an Amidine at the Pseudoanomeric Position

Lindbäck, E., López, Ó., Fernández-Bolaños, J. G., Sauer, S. P. A. & Bols, M., 3 Jun 2011, In: Organic Letters. 13, 11, p. 2908-2911

Research output: Contribution to journal › Journal article › Research › peer-review

13 Citations (Scopus)

A novel pseudo-complementary PNA G-C base pair

Olsen, A. G., Dahl, O., Petersen, A. B., Nielsen, J. & Nielsen, P. E., 2011, In: Artificial DNA. 2, 1, p. 33-37 5 p.

Research output: Contribution to journal › Journal article › Research › peer-review

7 Citations (Scopus)

A statistical approach to inelastic electron tunneling spectroscopy on fullerene-terminated molecules

Fock, J., Sørensen, J. K., Lörtscher, E., Vosch, T., Martin, C. A., Riel, H., Kilså, K., Bjørnholm, T. & van der Zant, H., 28 Aug 2011, In: Physical Chemistry Chemical Physics. 13, p. 14325-14332

Research output: Contribution to journal › Journal article › Research › peer-review

28 Citations (Scopus)

A study of anhydrocelluloses - Is a cellulose structure with residues in a 1C4-conformation more prone to hydrolysis?

Jadhav, V., Pedersen, C. M. & Bols, M., 7 Nov 2011, In: Organic & Biomolecular Chemistry. 9, 21, p. 7525-7534

Research output: Contribution to journal › Journal article › Research › peer-review

10 Citations (Scopus)

A Theoretical Approach to Molecular Single Electron Transistors

Olsen, S. T., Hansen, T. & Mikkelsen, K. V., Dec 2011, In: Theoretical Chemistry Accounts. 130, p. 839-850

Research output: Contribution to journal › Journal article › Research › peer-review

7 Citations (Scopus)

A Theoretical Investigation of Gas Phase NO3 Initiated Nitration of p-Cresol

Jessen, C. E., Gross, A., Kongsted, J. & Jørgensen, S., 7 Nov 2011, In: Chemical Physics. 389, p. 39-46

Research output: Contribution to journal › Journal article › Research › peer-review

10 Citations (Scopus)

Atmospheric chemistry of C2F5CH2OCH3 (HFE-365mcf)

Thomsen, D. L., Andersen, V. F., Nielsen, O. J. & Wallington, T., 21 Feb 2011, In: {PHYSICAL CHEMISTRY CHEMICAL PHYSICS}. 13, p. 2758-2764 6 p.

Research output: Contribution to journal › Journal article › Research › peer-review

6 Citations (Scopus)

Atmospheric Chemistry of Two Biodiesel Model Compounds: Methyl Propionate and Ethyl Acetate

Andersen, V. F., Berhanu, T. A., Nilsson, E. J. K., Jørgensen, S., Nielsen, O. J., Wallington, T. J. & Johnson, M. S., 18 Aug 2011, In: Journal of Physical Chemistry Part A: Molecules, Spectroscopy, Kinetics, Environment and General Theory. 115, p. 8906–8919

Research output: Contribution to journal › Journal article › Research › peer-review

28 Citations (Scopus)

Benchmarking SOPPA(CC2) for the calculation of indirect nuclear spin spin coupling constants: Carbocycles

Kjær, H., Sauer, S. P. A., Kongsted, J., Rusakov, Y. Y. & Krivdin, L. B., 18 Mar 2011, In: Chemical Physics. 381, p. 35 43 p.

Research output: Contribution to journal › Journal article › Research › peer-review

28 Citations (Scopus)

Department of Chemistry

Research output

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