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2016
Mark Activity of phenoxy-imine titanium catalysts in ethylene polymerization : A quantum chemical approach
Nikitin, Sergey V. ; Nikitin, Viktor V. ^LU ; Oleynik, Ivan I. ; Oleynik, Irina V. and Bagryanskaya, Elena G. (2016) In Journal of Molecular Catalysis A: Chemical 423. p.285-292
- Contribution to journal › Article
Mark Density functional theory of equilibrium random copolymers : Application to surface adsorption of aggregating peptides
Wang, Haiqiang ; Forsman, Jan ^LU and Woodward, Clifford E. (2016) In Journal of Physics: Condensed Matter 28(24).
- Contribution to journal › Article
Mark Thermal transformations of tris(2-thienyl)phosphine (PTh₃) at low-valent ruthenium cluster centers : Part I. Carbon-hydrogen, carbon-phosphorus and carbon-sulfur bond activation yielding Ru₃(CO)₈L{μ-Th₂P(C₄H₂S)}(μ-H) (L = CO, PTh₃), Ru₃(CO)₇(μ-PTh₂)₂(μ₃-η²-C₄H₂S), Ru₄(CO)₉(μ-CO)₂(μ₄-η²-C₄H₂S)(μ₄-PTh) and Ru₅(CO)₁₁(μ-PTh₂)(μ₄-η⁴-C₄H₃)(μ₄-S)
Uddin, Md Miaz ; Begum, Noorjahan ; Ghosh, Shishir ; Sarker, Jagodish C. ; Tocher, Derek A ; Hogarth, Graeme ; Richmond, Michael G. ; Nordlander, Ebbe ^LU and Kabir, Shariff E (2016) In Journal of Organometallic Chemistry 812. p.197-206
- Contribution to journal › Article
Mark Reversed Hysteresis during CO Oxidation over Pd₇₅Ag₂₅(100)
Fernandes, Vasco R. ; Bossche, Maxime Van Den ; Knudsen, Jan ^LU ; Farstad, Mari H. ; Gustafson, Johan ^LU ; Venvik, Hilde J. ; Grönbeck, Henrik and Borg, Anne (2016) In ACS Catalysis 6(7). p.4154-4161
- Contribution to journal › Article
2014
Mark Synthesis of [Ru-3(CO)(9)(mu-dppf){P(C4H3E)(3)}] (E = O, S) and thermally induced cyclometalation to form [(mu-H)Ru-3(CO)(7)(mu-dppf){mu(3)-( C4H3E)(2)P(C4H2E)}] (dppf=1,1 '-bis(diphenylphosphino) ferrocene)
Hossain, Kamal ^LU ; Rajbangshi, Subas ; Rahaman, Ahibur ^LU ; Chowdhury, Md Arshad H. ; Siddiquee, Tasneem A. ; Ghosh, Shishir ; Richmond, Michael G. ; Nordlander, Ebbe ^LU ; Hogarth, Graeme and Kabir, Shariff E. (2014) In Journal of Organometallic Chemistry 760. p.231-239
- Contribution to journal › Article
Mark Analytical and Numerical Developments in Strongly Correlated Systems: Perspectives from TDDFT and Green's Functions
Karlsson, Daniel ^LU (2014)
- Thesis › Doctoral thesis (compilation)
Mark Quantum chemical characterization of oxide nanoparticles and interactions on their surfaces
Galynska, Marta ^LU (2014)
- Thesis › Doctoral thesis (compilation)
2013
Mark Emerging Polymorphism in Nanostructured TiO2: Quantum Chemical Comparison of Anatase, Rutile, and Brookite Clusters
Galynska, Marta ^LU and Persson, Petter ^LU (2013) In International Journal of Quantum Chemistry 113(24). p.2611-2620
- Contribution to journal › Article
Mark Area and Power Reduction in DFT Based Channel Estimators for OFDM Systems
Stala, Michal ^LU ; Gangarajaiah, Rakesh ^LU ; Edfors, Ove ^LU and Öwall, Viktor ^LU (2013) NORCHIP Conference, 2013
- Contribution to conference › Paper, not in proceeding
2010
Mark The solvent shell structure of aqueous iodide : X-ray absorption spectroscopy and classical, hybrid QM/MM and full quantum molecular dynamics simulations
Tavernelli, I. ; Milne, C. J. ; van der Veen, R. M. ; D'Angelo, P. ; Bressler, Ch ; Chergui, M. and Pham, Van-Thai ^LU (2010) In Chemical Physics 371(1-3). p.24-29
- Contribution to journal › Article

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