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Journal of Chemical Theory and Computation
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November 25, 2015
Segmented Contracted Douglas-Kroll-Hess Adapted Basis Sets for Lanthanides
Michael Dolg
Physical Chemistry Chemical Physics : PCCP
|
April 28, 2007
Computational investigation of the Bi lone-pairs in monoclinic bismuth triborate BiB3O6
Jun Yang, Michael Dolg
Journal of Chemical Theory and Computation
|
April 8, 2024
Linear Scaling Incremental Scheme for Correlation Energies with Embedding Generated Virtuals
Ilyas Türkmen, Michael Dolg
Journal of Chemical Theory and Computation
|
November 19, 2015
Third-Order Incremental Dual-Basis Set Zero-Buffer Approach for Large High-Spin Open-Shell Systems
Jun Zhang, Michael Dolg
The Journal of Physical Chemistry. A
|
December 31, 2014
Labile capping bonds in lanthanide(III) complexes: shorter and weaker
Jun Zhang, Michael Dolg
The Journal of Physical Chemistry. A
|
June 26, 2009
Accurate relativistic small-core pseudopotentials for actinides. energy adjustment for uranium and first applications to uranium hydride
Michael Dolg, Xiaoyan Cao
Chemistry (Weinheim an Der Bergstrasse, Germany)
|
August 29, 2014
Dispersion interaction stabilizes sterically hindered double fullerenes
Jun Zhang, Michael Dolg
The 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 oligomer
Joachim Friedrich, Michael Dolg
The Journal of Chemical Physics
|
September 4, 2007
Evaluation of electronic correlation contributions for optical tensors of large systems using the incremental scheme
Jun Yang, Michael Dolg
The Journal of Chemical Physics
|
February 12, 2015
Approaching the complete basis set limit of CCSD(T) for large systems by the third-order incremental dual-basis set zero-buffer F12 method
Jun Zhang, Michael Dolg
Page
of 7
Search research articles
Search
Showing results (1-10 of 66) with videos related to
Sort By:
Page
of 7
Journal of Chemical Theory and Computation
|
November 25, 2015
Segmented Contracted Douglas-Kroll-Hess Adapted Basis Sets for Lanthanides
Michael Dolg
Physical Chemistry Chemical Physics : PCCP
|
April 28, 2007
Computational investigation of the Bi lone-pairs in monoclinic bismuth triborate BiB3O6
Jun Yang, Michael Dolg
Journal of Chemical Theory and Computation
|
April 8, 2024
Linear Scaling Incremental Scheme for Correlation Energies with Embedding Generated Virtuals
Ilyas Türkmen, Michael Dolg
Journal of Chemical Theory and Computation
|
November 19, 2015
Third-Order Incremental Dual-Basis Set Zero-Buffer Approach for Large High-Spin Open-Shell Systems
Jun Zhang, Michael Dolg
The Journal of Physical Chemistry. A
|
December 31, 2014
Labile capping bonds in lanthanide(III) complexes: shorter and weaker
Jun Zhang, Michael Dolg
The Journal of Physical Chemistry. A
|
June 26, 2009
Accurate relativistic small-core pseudopotentials for actinides. energy adjustment for uranium and first applications to uranium hydride
Michael Dolg, Xiaoyan Cao
Chemistry (Weinheim an Der Bergstrasse, Germany)
|
August 29, 2014
Dispersion interaction stabilizes sterically hindered double fullerenes
Jun Zhang, Michael Dolg
The 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 oligomer
Joachim Friedrich, Michael Dolg
The Journal of Chemical Physics
|
September 4, 2007
Evaluation of electronic correlation contributions for optical tensors of large systems using the incremental scheme
Jun Yang, Michael Dolg
The Journal of Chemical Physics
|
February 12, 2015
Approaching the complete basis set limit of CCSD(T) for large systems by the third-order incremental dual-basis set zero-buffer F12 method
Jun Zhang, Michael Dolg
Page
of 7