Max Planck Society - eDoc Server

http://edoc.mpg.de



Periodic Trends in Lanthanide Compounds through the Eyes of Multireference ab Initio Theory
Authors: Aravena, Daniel; Atanasov, Mihail; Neese, Frank
Date of Publication (YYYY-MM-DD): 2016-05-02
Title of Journal: Inorganic Chemistry
Volume: 55
Issue / Number: 9
Start Page: 4457
End Page: 4469
Document Type: Article
ID: 722467.0


Improved Segmented All-Electron Relativistically Contracted Basis Sets for the Lanthanides
Authors: Aravena, Daniel; Neese, Frank; Pantazis, Dimitrios A.
Date of Publication (YYYY-MM-DD): 2016
Title of Journal: Journal of Chemical Theory and Computation
Volume: 12
Issue / Number: 3
Start Page: 1148
End Page: 1156
Document Type: Article
ID: 720452.0


A low spin manganese(IV) nitride single molecule magnet
Authors: Ding, Mei; Cutsail III, George; Aravena, Daniel; Amoza, Martin; Rouzieres, Mathieu; Dechambenoit, Pierre; Losovyj, Yaroslav; Pink, Maren; Ruiz, Eliseo; Clerac, Rodolphe; Smith, Jeremy
Date of Publication (YYYY-MM-DD): 2016
Title of Journal: Chemical Science
Volume: 7
Issue / Number: 9
Start Page: 6132
End Page: 6140
Document Type: Article
ID: 733612.0


First principles approach to the electronic structure, magnetic anisotropy and spin relaxation in mononuclear 3d-transition metal single molecule magnets.
Authors: Atanasov, Mihail; Aravena, Daniel; Suturina, Elizaveta; Bill, Eckhard; Maganas, Dimitrios; Neese, Frank
Date of Publication (YYYY-MM-DD): 2015
Title of Journal: Coordination Chemistry Reviews
Volume: 289-290
Start Page: 177
End Page: 214
Document Type: Article
ID: 709071.0