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Results: 120

Božidar Čobeljić, Andrej Pevec, Stepan Stepanović, Vojislav Spasojević, Milica Milenković, Iztok Turel, Marcel Swart, Maja Gruden-Pavlović, Kawther Adaila, Katarina Anđelković
Experimental and theoretical investigation of octahedral and square-planar isothiocyanato complexes of Ni(II) with acylhydrazones of 2-(diphenylphosphino)benzaldehyde
Polyhedron, 2015, 89, 271-279
DOI: 10.1016/j.poly.2015.01.024

Abril C. Castro, Edison Osorio, José Luis Cabellos, Erick Cerpa, Eduard Matito, Miquel Solà, Marcel Swart, Gabriel Merino
Exploring the Potential Energy Surface of E₂P₄ clusters (E = Group 13 Element): The quest of inverse carbon-free sandwiches
Chem-Eur J., 2014, 20, 4583-4590
DOI: 10.1002/chem.201304685

Marc Garcia-Borràs, Sílvia Osuna, Josep M. Luis, Marcel Swart, Miquel Solà
The role of aromaticity in determining the molecular structure and reactivity of (endohedral metallo)fullerenes
Chem. Soc. Rev., 2014, 43, 5089-5105
DOI: 10.1039/c4cs00040d

Laura Orian, Marcel Swart, F. Matthias Bickelhaupt
Indenyl Effect Due to Metal Slippage? Computational Exploration of Rhodium-Catalyzed Acetylene [2+2+2] Cyclotrimerization
ChemPhysChem, 2014, 15, 219-228
DOI: 10.1002/cphc.201300934
Keywords: Homogeneous catalysis

Prateeti Chakraborty, Jaydeep Adhikary, Sugata Samanta, Daniel Escudero, Abril C. Castro, Marcel Swart, Sanjib Ghosh, Antonio Bauzá, Antonio Frontera, Ennio Zangrando, Debasis Das
Combined Experimental and Theoretical Investigation of Ligand and Anion Controlled Complex Formation with Unprecedented Structural Features and Photoluminescence Properties of Zinc(II) Complexes
Crystal Growth & Design, 2014, 14, 4111-4123
DOI: 10.1021/cg500717n

Milica Milenković, Andrej Pevec, Iztok Turel, Miroslava Vujčić, Marina Milenković, Katarina Jovanović, Nevenka Gligorijević, Siniša Radulović, Marcel Swart, Maja Gruden-Pavlović, Kawther Adaila, Božidar
Synthesis, characterization, DFT calculation and biological activity of square-planar Ni(II) complexes with tridentate PNO ligands and monodentate pseudohalides. Part II
European Journal of Medicinal Chemistry, 2014, 87, 284-297
DOI: 10.1016/j.ejmech.2014.06.079

Alexandra T. P. Carvalho, Marcel Swart
Electronic Structure Investigation and Parametrization of Biologically Relevant Iron–Sulfur Clusters
J. Chem. Inf. Model., 2014, 54, 613-620
DOI: 10.1021/ci400718m
Keywords: Molecular Dynamics simulations

Natalie Gorczak, Marcel Swart, Ferdinand C. Grozema
Energetics of charges in organic semiconductors and at organic donor–acceptor interfaces
J. Mater. Chem. C, 2014, 2, 3467-3475
DOI: 10.1039/c3tc32475c

Yevhen Horbatenko, Juan Pedro Pérez, Pedro Hernández, Marcel Swart, Miquel Solà
Reaction Mechanisms for the Formation of Mono- And Dipropylene Glycol from the Propylene Oxide Hydrolysis over ZSM-5 Zeolite
J. Phys. Chem. C, 2014, 118, 21952-21962
DOI: 10.1021/jp504432a

Kawther Adaila, Milica Milenković, Alessia Bacchi, Giulia Cantoni, Marcel Swart, Maja Gruden-Pavlović, Marina Milenković, Božidar Čobeljić, Tamara Todorović, Katarina Anđelković
Synthesis, characterization, DFT calculations, and antimicrobial activity of Pd(II) and Co(III) complexes with the condensation derivative of 2-(diphenylphosphino)benzaldehyde and Girard’s T reagent
Journal of Coordination Chemistry, 2014, 67, 3633-3648
DOI: 10.1080/00958972.2014.972389