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Physical Chemistry Chemical Physics : PCCP|July 21, 2017
The first water coordination sphere of lanthanide(iii) motexafins (Ln-Motex<sup>2+</sup>, Ln = La, Gd, Lu) and its effects on structures, reduction potentials and UV-vis absorption spectra. Theoretical studiesXiaoyan Cao, Norah Heinz, Jun Zhang, et al.Physical Chemistry Chemical Physics : PCCP|July 24, 2015
Accurate quantum chemical modelling of the separation of Eu(3+) from Am(3+)/Cm(3+) by liquid-liquid extraction with Cyanex272Xiaoyan Cao, Jun Zhang, Daniel Weissmann, et al.Journal of Chemical Theory and Computation|November 25, 2015
Segmented Contracted Douglas-Kroll-Hess Adapted Basis Sets for LanthanidesMichael DolgPhysical Chemistry Chemical Physics : PCCP|April 28, 2007
Computational investigation of the Bi lone-pairs in monoclinic bismuth triborate BiB3O6Jun Yang, Michael DolgJournal of Chemical Theory and Computation|April 8, 2024
Linear Scaling Incremental Scheme for Correlation Energies with Embedding Generated VirtualsIlyas Türkmen, Michael DolgThe Journal of Physical Chemistry. A|June 26, 2009
Accurate relativistic small-core pseudopotentials for actinides. energy adjustment for uranium and first applications to uranium hydrideMichael Dolg, Xiaoyan CaoThe Journal of Chemical Physics|January 7, 2009
Implementation and performance of a domain-specific basis set incremental approach for correlation energies: applications to hydrocarbons and a glycine oligomerJoachim Friedrich, Michael DolgThe Journal of Chemical Physics|September 4, 2007
Evaluation of electronic correlation contributions for optical tensors of large systems using the incremental schemeJun Yang, Michael DolgThe Journal of Chemical Physics|February 8, 2013
Accuracy of relativistic energy-consistent pseudopotentials for superheavy elements 111-118: molecular calibration calculationsTim Hangele, Michael DolgThe Journal of Physical Chemistry. B|September 29, 2006
First-principles electronic structure study of the monoclinic crystal bismuth triborate BiB3O6Jun Yang, Michael DolgPageof 1,732