Pregled autora: "Gruden-Pavlović, Maja"
Prikaz rezultata 1-20 od 50
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Application of Density Functional and Density Functional Based Ligand Field Theory to Spin States
Daul, Claude; Zlatar, Matija; Gruden-Pavlović, Maja; Swart, Marcel (John Wiley & Sons, Ltd, 2015) -
Assessment of TD-DFT and LF-DFT for study of d - d transitions in first row transition metal hexaaqua complexes
Vlahović, Filip; Perić, Marko; Gruden-Pavlović, Maja; Zlatar, Matija (Amer Inst Physics, Melville, 2015) -
Challenges in assignment of orbital populations in a high spin manganese(III) complex
Fitzpatrick, Anthony J.; Stepanović, Stepan; Mueller-Bunz, Helge; Gruden-Pavlović, Maja; Garcia-Fernandez, Pablo; Morgan, Grace G. (Royal Soc Chemistry, Cambridge, 2016) -
Challenges in assignment of orbital populations in a high spin manganese(III) complex
Fitzpatrick, Anthony J.; Stepanović, Stepan; Mueller-Bunz, Helge; Gruden-Pavlović, Maja; Garcia-Fernandez, Pablo; Morgan, Grace G. (Royal Soc Chemistry, Cambridge, 2016) -
The choice of the exchange-correlation functional for the determination of the Jahn-Teller parameters by the density functional theory
Anđelković, Ljubica; Gruden-Pavlović, Maja; Daul, Claude; Zlatar, Matija (Wiley-Blackwell, Hoboken, 2013) -
Computational analysis of tris(1,2-ethanediamine) cobalt(III) complex ion: calculation of the Co-59 shielding tensor using LF-DFT
Senn, Florian; Zlatar, Matija; Gruden-Pavlović, Maja; Daul, Claude (Springer Wien, Wien, 2011) -
Computational study of the spin-state energies and UV-Vis spectra of bis(1,4,7-triazacyclononane) complexes of some first-row transition metal cations
Zlatar, Matija; Gruden-Pavlović, Maja; Güell, Mireia; Swart, Marcel (Royal Soc Chemistry, Cambridge, 2013) -
Computational study of the spin-state energies and UV-Vis spectra of bis(1,4,7-triazacyclononane) complexes of some first-row transition metal cations
Zlatar, Matija; Gruden-Pavlović, Maja; Güell, Mireia; Swart, Marcel (Royal Soc Chemistry, Cambridge, 2013) -
Conformational analysis of octa- and tetrabromo tetraphenylporphyrins and their Ni(II) and Tb(III) complexes
Gruden-Pavlović, Maja; Grubišić, Sonja; Niketić, Svetozar R. (Elsevier Science Inc, New York, 2004) -
Consistent force field for metalloporphyrins / Konzistentno polje sila za metaloporfirine
Anđelković, Ljubica; Grubišić, Sonja; Đorđević, Ivana; Zlatar, Matija; Niketić, Svetozar R.; Gruden-Pavlović, Maja (Serbian Chemical Soc, Belgrade, 2010) -
Density functional approximations for spin state energetics in transition-metal complexes / Aproksimacije funkcionala gustine u proučavanju energija spinskih stanja kompleksa prelaznih metala.
Stepanović, Stepan (Универзитет у Београду, Хемијски факултет, 2018) -
A density functional study of the spin state energetics of polypyrazolylborato complexes of first-row transition metals
Gruden-Pavlović, Maja; Stepanović, Stepan; Perić, Marko; Güell, Mireia; Swart, Marcel (Royal Soc Chemistry, Cambridge, 2014) -
Density Functional Theory for the Study of the Multimode Jahn-Teller Effect
Zlatar, Matija; Gruden-Pavlović, Maja; Schläpfer, Carl-Wilhelm; Daul, Claude (Swiss Chemical Society, 2010) -
Density functional theory study of the magnetic coupling interaction in a series of binuclear oxalate complexes
Perić, Marko; Zlatar, Matija; Gruden-Pavlović, Maja; Grubišić, Sonja (Springer Wien, Wien, 2012) -
Density Functional Theory Study of the Multimode Jahn-Teller Effect - Ground State Distortion of Benzene Cation
Zlatar, Matija; Brog, Jean-Pierre; Tschannen, Alain; Gruden-Pavlović, Maja; Daul, Claude (Springer, Dordrecht, 2012) -
Density Functional Theory Study of the Multimode Jahn-Teller Effect - Ground State Distortion of Benzene Cation
Zlatar, Matija; Brog, Jean-Pierre; Tschannen, Alain; Gruden-Pavlović, Maja; Daul, Claude (Springer, Dordrecht, 2012) -
Density functional theory study of the multimode Jahn-Teller problem in the fullerene anion
Ramanantoanina, Harry; Gruden-Pavlović, Maja; Zlatar, Matija; Daul, Claude (Wiley-Blackwell, Hoboken, 2013) -
Density functional theory study of the multimode Jahn-Teller problem in the open-shell corannulenes and coronenes
Anđelković, Ljubica; Gruden-Pavlović, Maja; Zlatar, Matija (Elsevier, 2015) -
DFT and MM description of the structure and magnetic properties of manganese complexes with X-phenylcyanamido bridging ligand
Perić, Marko; Niketić, Svetozar R.; Zlatar, Matija; Gruden-Pavlović, Maja; Grubišić, Sonja (Springer Wien, Wien, 2011) -
DFT investigation of the influence of Jahn-Teller distortion on the aromaticity in square-planar arsenic and antimony clusters
Perić, Marko; Anđelković, Ljubica; Zlatar, Matija; Daul, Claude; Gruden-Pavlović, Maja (Oxford : Pergamon-Elsevier Science Ltd, 2014)