Browsing by Author "Daul, Claude"
Now showing items 1-19 of 19
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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) -
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) -
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 Jahn-Teller effect in cobaltocene
Zlatar, Matija; Schläpfer, Carl-Wilhelm; Fowe, Emmanuel Penka; Daul, Claude (Int Union Pure Applied Chemistry, Res Triangle Pk, 2009) -
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) -
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) -
DFT study of the Jahn–Teller effect in Cu(II) chelate complexes
Gruden-Pavlović, Maja; Zlatar, Matija; Schläpfer, Carl-Wilhelm; Daul, Claude (Elsevier, 2010) -
General treatment of the multimode Jahn-Teller effect: study of fullerene cations
Ramanantoanina, Harry; Zlatar, Matija; Garcia-Fernandez, Pablo; Daul, Claude; Gruden-Pavlović, Maja (Royal Soc Chemistry, Cambridge, 2013) -
General treatment of the multimode Jahn-Teller effect: study of fullerene cations
Ramanantoanina, Harry; Zlatar, Matija; Garcia-Fernandez, Pablo; Daul, Claude; Gruden-Pavlović, Maja (Royal Soc Chemistry, Cambridge, 2013) -
Intrinsic Distortion Path in the analysis of the Jahn-Teller effect
Zlatar, Matija; Gruden-Pavlović, Maja; Schläpfer, Carl-Wilhelm; Daul, Claude (Elsevier, 2010) -
Magnetic Anisotropy in "Scorpionate" First-Row Transition-Metal Complexes: A Theoretical Investigation
Perić, Marko; Garcia-Fuente, Amador; Zlatar, Matija; Daul, Claude; Stepanović, Stepan; Garcia-Fernandez, Pablo; Gruden-Pavlović, Maja (Wiley-VCH Verlag Gmbh, Weinheim, 2015) -
Magnetic Anisotropy in "Scorpionate" First-Row Transition-Metal Complexes: A Theoretical Investigation
Perić, Marko; Garcia-Fuente, Amador; Zlatar, Matija; Daul, Claude; Stepanović, Stepan; Garcia-Fernandez, Pablo; Gruden-Pavlović, Maja (Wiley-V C H Verlag Gmbh, Weinheim, 2015) -
A New Method to Describe the Multimode Jahn–Teller Effect Using Density Functional Theory
Zlatar, Matija; Schläpfer, Carl-Wilhelm; Daul, Claude (Springer, Berlin, Heidelberg, 2009) -
A New Method to Describe the Multimode Jahn–Teller Effect Using Density Functional Theory
Zlatar, Matija; Schläpfer, Carl-Wilhelm; Daul, Claude (Springer, Berlin, Heidelberg, 2009) -
Spherical aromaticity of Jahn-Teller active fullerene ions
Perić, Marko; Anđelković, Ljubica; Zlatar, Matija; Nikolić, Aleksandar S.; Daul, Claude; Gruden-Pavlović, Maja (Springer Wien, Wien, 2013) -
Treatment of the Multimode Jahn-Teller Problem in Small Aromatic Radicals
Gruden-Pavlović, Maja; Garcia-Fernandez, Pablo; Anđelković, Ljubica; Daul, Claude; Zlatar, Matija (American Chemical Society (ACS), 2011)