Recent Submissions

  • Exposure of juvenile turbot (Scophthalmus maximus) to AgNP-EE2 mixtures: Implications on contaminant bioavailability and plasma steroid hormone levels 

    Farkas, Julia; Salaberria, Iurgi; Styrishave, Bjarne; Stanková, Radka; Ciesielski, Tomasz Maciej; Olsen, Anders Johny; Posch, Wilfried; Flaten, Trond Peder; Krøkje, Åse; Salvenmoser, Willi; Jenssen, Bjørn Munro (Journal article; Peer reviewed, 2017)
    Combined exposure to engineered nanoparticles (ENPs) and anthropogenic contaminants can lead to changes in bioavailability, uptake and thus effects of both groups of contaminants. In this study we investigated effects of ...
  • The Dalton quantum chemistry program system 

    Aidas, Kestutis; Angeli, Celestino; Bak, Keld L.; Bakken, Vebjørn; Bast, Radovan; Boman, Linus; Christiansen, Ove; Cimiraglia, Renzo; Coriani, Sonja; Dahle, Pål; Dalskov, Erik K.; Ekström, Ulf Egil; Enevoldsen, Thomas; Eriksen, Janus J.; Ettenhuber, Patrick; Fernández, Berta; Ferrighi, Lara; Fliegl, Heike; Frediani, Luca; Hald, Kasper; Halkier, Asger; Hattig, Christof; Heiberg, Hanne; Helgaker, Trygve; Hennum, Alf Christian; Hettema, Hinne; Hjertenæs, Eirik; Høst, Stine; Høyvik, Ida Marie; Iozzi, Maria Francesca; Jansik, Brannislav; Jensen, Hans-Jørgen Aa.; Jonsson, Dan Johan; Jørgensen, Poul; Kauczor, Johanna; Kirpekar, Sheela; Kjærgaard, Thomas; Klopper, Wim; Knecht, Stefan; Kobayashi, Rika; Koch, Henrik; Kongsted, Jacob; Krapp, Andreas; Kristensen, Kasper; Ligabue, Andrea; Lutnæs, Ola B.; Melo, Juan I.; Mikkelsen, Kurt V.; Myhre, Rolf Heilemann; Neiss, Christian; Nielsen, Christian B.; Norman, Patrick; Olsen, Jeppe; Olsen, Jogvan Magnus H.; Osted, Anders; Packer, Martin J.; Pawlowski, Filip; Pedersen, Thomas Bondo; Provasi, Patricio F.; Reine, Simen Sommerfelt; Rinkevicius, Zilvinas; Ruden, Torgeir A.; Ruud, Kenneth; Rybkin, Vladimir V.; Salek, Pawel; Samson, Claire C. M.; Sanchez de Meras, Alfredo; Saue, Trond; Sauer, Stephan P. A.; Schimmelpfennig, Bernd; Sneskov, Kristian; Steindal, Arnfinn Hykkerud; Sylvester-Hvid, Kristian O.; Taylor, Peter R.; Teale, Andrew M.; Tellgren, Erik; Tew, David P.; Thorvaldsen, Andreas J.; Thøgersen, Lea; Vahtras, Olav; Watson, Mark A.; Wilson, David J. D.; Ziolkowski, Marcin; Ågren, Hans (Journal article; Peer reviewed, 2014)
    Dalton is a powerful general-purpose program system for the study of molecular electronic structure at the Hartree–Fock, Kohn–Sham, multiconfigurational self-consistent-field, Møller–Plesset, configuration-interaction, and ...
  • Enantioselectivity, swelling and stability of 4-hydroxyprolinol containing acrylic polymer beads in the asymmetric reduction of ketones 

    Thvedt, Thor Håkon Krane; Kristensen, Tor Erik Holt; Sundby, Eirik; Hansen, Tore; Hoff, Bård Helge (Journal article; Peer reviewed, 2011)
    A new 4-hydroxy-a,a-diphenyl-L-prolinol containing polymethacrylate, prepared without chromatography by a large scale adaptable synthesis, has been evaluated as a catalyst in the asymmetric reduction of 1-arylethanones. ...
  • CO2 induced phase transitions in diamine-appended metal-organic frameworks 

    Vlaisavljevich, Bess; Odoh, Samuel O.; Schnell, Sondre Kvalvåg; Dzubak, Allison L.; Lee, Kyuho; Planas, Nora; Neaton, Jeffrey B.; Gagliardi, Laura; Smit, Berend (Journal article; Peer reviewed, 2015)
    Using a combination of density functional theory and lattice models, we study the effect of CO2 adsorption in an amine functionalized metal organic framework. These materials exhibit a step in the adsorption isotherm ...
  • Cooperative insertion of CO2 in diamine-appended metal-organic frameworks 

    McDonald, Thomas M.; Mason, Jarad A.; Kong, Xueqian; Bloch, Eric D.; Gygi, David; Dani, Alessandro; Crocella, Valentina; Giordanino, Filippo; Odoh, Samuel O.; Drisdell, Walter S.; Vlaisavljevich, Bess; Dzubak, Allison L.; Poloni, Roberta; Schnell, Sondre Kvalvåg; Planas, Nora; Lee, Kyuho; Pascal, Tod; Wan, Liwen F.; Prendergast, David; Neaton, Jeffrey B.; Smit, Berend; Kortright, Jeffrey B.; Gagliardi, Laura; Bordiga, Silvia; Reimer, Jeffrey A.; Long, Jeffrey R. (Journal article; Peer reviewed, 2015)
    The process of carbon capture and sequestration has been proposed as a method of mitigating the build-up of greenhouse gases in the atmosphere. If implemented, the cost of electricity generated by a fossil fuel-burning ...
  • Nanoporous materials can tune the critical point of a pure substance 

    Braun, Efrem; Chen, Joseph J.; Schnell, Sondre Kvalvåg; Lin, Li-Chiang; Reimer, Jeffrey A.; Smit, Berend (Journal article; Peer reviewed, 2015)
    Molecular simulations and NMR relaxometry experiments demonstrate that pure benzene or xylene confined in isoreticular metal–organic frameworks (IRMOFs) exhibit true vapor–liquid phase equilibria where the effective critical ...
  • Responses in the microbial food web to increased rates of nutrient supply in a southern Chilean fjord: Possible implications of cage aquaculture 

    Olsen, Lasse Mork; Hernandez, Klaudia; Ardelan, Murat Van; Iriarte, Jose Luis; Sanchez, Nicolas; Gonzalez, Humberto E.; Tokle, Nils Egil; Olsen, Yngvar (Journal article; Peer reviewed, 2014)
    ABSTRACT: Cage fish farms release the inorganic nutrients ammonium (NH4) and phosphate (PO4) into the surrounding water. The objectives of this experiment from the Comau fjord (42.2° S) in southern Chile was to study how ...
  • SubSea Dispersant lnjection (SSDI)- a "state of the art" and the need for further documentations 

    Daling, Per Snorre; Brakstad, Odd Gunnar; Brandvik, Per Johan; Davies, Emlyn J.; Grøsvik, Bjørn Einar; Meier, Sonnich; Nepstad, Raymond; Nordtug, Trond; Vikebø, Frode Bendiksen (;2017:00007 A, Research report, 2017)
    The aim of this pre-project has been to give a "State-of the art" and describe the R&D challenges and documentation needed in order to perform robust NEBA (Net Environmental Benefit Analysis) where SubSea Dispersant Injection ...
  • Determination of nitrated and oxygenated polycyclic aromatic hydrocarbons in arctic air by GC/NICI-MS 

    Sundby, Kristin (Master thesis, 2017)
    Nitrated and oxygenated polycyclic aromatic hydrocarbons (nitro- and oxy-PAHs) are pollutants that enter the atmosphere from incomplete combustions and from degradation of regular PAHs. Nowadays, there are growing interests ...
  • Synthesis and Antimicrobial Evaluation of Small Molecule Amphiphiles Derived from Amphiphilic Antimicrobial Natural Products 

    Bakka, Thomas Aleksander (Doctoral theses at NTNU;2017:239, Doctoral thesis, 2017)
    Development of antimicrobial agents that work through novel mechanisms is of importance for combating the steadily increasing proliferation of resistant bacteria. Infections caused by resistant bacteria have become an ...
  • Anomalous magnetic transport in ferromagnetic graphene junctions 

    Yokoyama, Takehito; Linder, Jacob (Journal article; Peer reviewed, 2011)
    We investigate magnetotransport in a ferromagnetic-normal-ferromagnetic graphene junction where a gate electrode is attached to the normal segment. It is shown that the charge conductance can be maximal at an antiparallel ...
  • Leaching of surfactants as a function of oil droplet size and surfactant properties. An approach using mass spectrometry and multivariate data analysis 

    Hansen, Sondre Kværne (Master thesis, 2017)
    Oil dispersants are used extensively in order to minimize the environmental damage that often follows an oil spill. A widely used dispersant, Corexit 9500A, consists of four surfactants with different properties and a ...
  • Reduced orbital space coupled cluster calculations using a multilevel Hartree-Fock wave function 

    Sæther, Sandra (Master thesis, 2017)
    Embedding, or multilevel, schemes have become exceedingly popular in recent years. The idea is to divide the system into an active part, which is treated by an accurate quantum mechanical method, and then treat the rest ...
  • Valence excitation energies in multilevel coupled cluster 

    Jensen, Jon Espen (Master thesis, 2017)
    This is a benchmark study, for valence excitation energies in the multilevel coupled cluster (MLCC) framework. The information resulting from lower level of theory is used to generate correlated natural transition orbitals ...
  • Thermal Conductivity, Heat Sources and Temperature Profiles of Li-ion Batteries 

    Burheim, Odne Stokke; Onsrud, Morten Andreas; Pharoah, John George; Vullum-Bruer, Fride; Vie, Preben Joakim Svela (Journal article; Peer reviewed, 2014)
    In this paper we report the thermal conductivity of several commercial and non-commercial Li-ion secondary battery electrode materials with and without electrolytesolvents. We also measure the Tafel potential, the ohmic ...
  • Local Field Factors and Dielectric Properties of Liquid Benzene 

    Davari, Nazanin; Daub, Christopher David; Åstrand, Per-Olof; Unge, Mikael (Journal article; Peer reviewed, 2015)
    Local electric field factors are calculated for liquid benzene by combining molecular dynamic simulations with a subsequent force-field model based on a combined charge-transfer and point-dipole interaction model for the ...
  • Biogeochemistry of iron in Patagonian fjords and waters of the Antarctic Peninsula 

    Puerto, Nicolas Sanchez (Doctoral theses at NTNU;2017:191, Doctoral thesis, 2017)
    Iron constitute an essential nutrient for marine life. Several metabolic processes in marine phytoplankton, are dependent on the presence of this trace element. Due to the chemistry of seawater, in certain marine ...
  • Impact of present and future HVDC links on the nordic power grid 

    Vrana, Til Kristian; Aas, Even Strand; Reigstad, Tor Inge; Mo, Olve (Chapter; Peer reviewed, 2017)
    This article presents preliminary results from ongoing work on establishing a simulation model for R&D activities on the impact of the increasing number of HVDC links in the Nordic power grid. The total HVDC power capacity ...
  • Probing ultrafast ππ*/nπ* internal conversion inorganic chromophores via K-edge resonantabsorption 

    Koch, Henrik; Myhre, Rolf H.; Coriani, Sonia (Journal article; Peer reviewed, 2017)
    Many photoinduced processes including photosynthesis and human vision happen in organic molecules and involve coupled femtosecond dynamics of nuclei and electrons. Organic molecules with heteroatoms often possess an important ...
  • Methyl propiolate and 3-butynone: starting points for synthesis of amphiphilic 1,2,3-triazole peptidomimetics for antimicrobial evaluation 

    Bakka, Thomas Aleksander; Strøm, Morten B.; Andersen, Jeanette hammer; Gautun, Odd Reidar (Journal article; Peer reviewed, 2017)
    A library of 29 small 1,4-substituted 1,2,3-triazoles was prepared for studies of antimicrobial activity. The pharmacophore model investigated with these substrates was based on small peptidomimetics of antimicrobial ...

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