Browsing by Author Dolg, Michael

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Showing results 1 to 8 of 8
TitleAuthor(s)Issue Date
 
Computational investigation of the Bi lone-pairs in monoclinic bismuth triborate BiB3O6
Journal:Physical Chemistry Chemical Physics
Yang, JunDolg, Michael
2007
 
Density Functional Studies of Coenzyme NADPH and Its Oxidized Form NADP<sup>+</sup>: Structures, UV–Vis Spectra, and the Oxidation Mechanism of NADPH
Journal:Journal of Computational Chemistry
Cao, XiaoyanWu, LiangliangZhang, JunDolg, Michael
2020
 
Energy Resonance Crossing Controls the Photoluminescence of Europium Antenna Probes
Journal:Angewandte Chemie - International Edition
Zhang, QiangqiangWu, LiangliangCao, XiaoyanChen, XueboFang, WeihaiDolg, Michael
2017
 
Evaluation of electronic correlation contributions for optical tensors of large systems using the incremental scheme
Journal:Journal of Chemical Physics
Yang, JunDolg, Michael
2007
 
First-principles electronic structure study of the monoclinic crystal bismuth triborate BiB3O6
Journal:Journal of Physical Chemistry B
Yang, JunDolg, Michael
2006
 
Phase stabilities of monoclinic oxoborates LaB3O6 and GdB3O6 in C121 and I12/a1 phase—Energetics and chemical bonds derived from first-principles calculations
Journal:Journal of Solid State Chemistry
Yang, JunDolg, Michael
2007
 
Quasirelativistic f-in-core pseudopotentials and core-polarization potentials for trivalent actinides and lanthanides: Molecular test for trifluorides
Journal:Theoretical Chemistry Accounts
Weigand, AnnaCao, XiaoyanYang, JunDolg, Michael
2010
 
Visible-Light Photocatalysis of C(sp<sup>3</sup>)-H Fluorination by the Uranyl Ion: Mechanistic Insights
Journal:Angewandte Chemie - International Edition
Wu, LiangliangCao, XiaoyanChen, XueboFang, WeihaiDolg, Michael
2018
Showing results 1 to 8 of 8