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Physical Chemistry Chemical Physics : PCCP
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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 studies
Xiaoyan Cao, Norah Heinz, Jun Zhang, et al.
The Journal of Chemical Physics
|
June 24, 2010
Implementation of the incremental scheme for one-electron first-order properties in coupled-cluster theory
Joachim Friedrich, Sonia Coriani, Trygve Helgaker, et al.
The Journal of Chemical Physics
|
May 6, 2010
Automated incremental scheme for explicitly correlated methods
Joachim Friedrich, David P Tew, Wim Klopper, et al.
The Journal of Chemical Physics
|
April 7, 2007
Energy-consistent relativistic pseudopotentials and correlation consistent basis sets for the 4d elements Y-Pd
Kirk A Peterson, Detlev Figgen, Michael Dolg, et al.
The Journal of Chemical Physics
|
May 2, 2009
Energy-consistent pseudopotentials and correlation consistent basis sets for the 5d elements Hf-Pt
Detlev Figgen, Kirk A Peterson, Michael Dolg, et al.
Physical Chemistry Chemical Physics : PCCP
|
September 8, 2010
Computational study of lanthanide(III) hydration
Jan Ciupka, Xiaoyan Cao-Dolg, Jonas Wiebke, et al.
Angewandte Chemie (International Ed. in English)
|
July 10, 2018
Visible-Light Photocatalysis of C(sp<sup>3</sup> )-H Fluorination by the Uranyl Ion: Mechanistic Insights
Liangliang Wu, Xiaoyan Cao, Xuebo Chen, 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 Cyanex272
Xiaoyan Cao, Jun Zhang, Daniel Weissmann, et al.
The Journal of Chemical Physics
|
June 16, 2012
Accurate relativistic energy-consistent pseudopotentials for the superheavy elements 111 to 118 including quantum electrodynamic effects
Tim Hangele, Michael Dolg, Michael Hanrath, et al.
Angewandte Chemie (International Ed. in English)
|
October 7, 2015
Regulatory Mechanism of the Enantioselective Intramolecular Enone [2+2] Photocycloaddition Reaction Mediated by a Chiral Lewis Acid Catalyst Containing Heavy Atoms
Hongjuan Wang, Xiaoyan Cao, Xuebo Chen, et al.
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of 7
Search research articles
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Showing results (41-50 of 66) with videos related to
Sort By:
Page
of 7
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 studies
Xiaoyan Cao, Norah Heinz, Jun Zhang, et al.
The Journal of Chemical Physics
|
June 24, 2010
Implementation of the incremental scheme for one-electron first-order properties in coupled-cluster theory
Joachim Friedrich, Sonia Coriani, Trygve Helgaker, et al.
The Journal of Chemical Physics
|
May 6, 2010
Automated incremental scheme for explicitly correlated methods
Joachim Friedrich, David P Tew, Wim Klopper, et al.
The Journal of Chemical Physics
|
April 7, 2007
Energy-consistent relativistic pseudopotentials and correlation consistent basis sets for the 4d elements Y-Pd
Kirk A Peterson, Detlev Figgen, Michael Dolg, et al.
The Journal of Chemical Physics
|
May 2, 2009
Energy-consistent pseudopotentials and correlation consistent basis sets for the 5d elements Hf-Pt
Detlev Figgen, Kirk A Peterson, Michael Dolg, et al.
Physical Chemistry Chemical Physics : PCCP
|
September 8, 2010
Computational study of lanthanide(III) hydration
Jan Ciupka, Xiaoyan Cao-Dolg, Jonas Wiebke, et al.
Angewandte Chemie (International Ed. in English)
|
July 10, 2018
Visible-Light Photocatalysis of C(sp<sup>3</sup> )-H Fluorination by the Uranyl Ion: Mechanistic Insights
Liangliang Wu, Xiaoyan Cao, Xuebo Chen, 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 Cyanex272
Xiaoyan Cao, Jun Zhang, Daniel Weissmann, et al.
The Journal of Chemical Physics
|
June 16, 2012
Accurate relativistic energy-consistent pseudopotentials for the superheavy elements 111 to 118 including quantum electrodynamic effects
Tim Hangele, Michael Dolg, Michael Hanrath, et al.
Angewandte Chemie (International Ed. in English)
|
October 7, 2015
Regulatory Mechanism of the Enantioselective Intramolecular Enone [2+2] Photocycloaddition Reaction Mediated by a Chiral Lewis Acid Catalyst Containing Heavy Atoms
Hongjuan Wang, Xiaoyan Cao, Xuebo Chen, et al.
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of 7