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The Journal of Chemical Physics
|
October 15, 2013
Two-component Kramers restricted complete active space self-consistent field method with relativistic effective core potential revisited: theory, implementation, and applications to spin-orbit splitting of lower p-block atoms
Inkoo Kim, Yoon Sup Lee
The Journal of Chemical Physics
|
November 3, 2014
Two-component multi-configurational second-order perturbation theory with Kramers restricted complete active space self-consistent field reference function and spin-orbit relativistic effective core potential
Inkoo Kim, Yoon Sup Lee
The Journal of Chemical Physics
|
March 17, 2007
Theoretical investigation of the alkaline-earth dihydrides from relativistic all-electron, pseudopotential, and density-functional study
Ivan S Lim, Yoon Sup Lee
Journal of Computational Chemistry
|
July 23, 2013
A protocol to evaluate one electron redox potential for iron complexes
Hyungjun Kim, Joungwon Park, Yoon Sup Lee
The Journal of Chemical Physics
|
October 19, 2010
Spin-orbit density functional and ab initio study of HgX(n) (X=F, Cl, Br, and I; n=1, 2, and 4)
Joonghan Kim, Hyotcherl Ihee, Yoon Sup Lee
Journal of Computational Chemistry
|
October 29, 2014
Prediction of the reduction potential of tris(2,2'-bipyridinyl)iron(III/II) derivatives
Hyungjun Kim, Joungwon Park, Yoon Sup Lee
Journal of Molecular Graphics & Modelling
|
July 23, 2008
Structural determination of large molecules through the reassembly of optimized fragments
Jung-Goo Lee, Yoon Sup Lee, Christopher Roland
The Journal of Physical Chemistry. B
|
April 16, 2009
Spin-orbit and electron correlation effects on the structure of EF3 (E = I, At, and element 117)
Hyoseok Kim, Yoon Jeong Choi, Yoon Sup Lee
Journal of Computational Chemistry
|
April 2, 2011
Electronic and chelation effects on the unusual C2-methylation of N-(para-substituted)phenylaziridines with lithium organocuprates
Jongtaek Kim, Eunjung Yoo, Sukbok Chang, et al.
The Journal of Physical Chemistry. A
|
April 21, 2010
Molecular structures, energetics, and electronic properties of neutral and charged Hg(n) clusters (n = 2-8)
Jeewon Kang, Joonghan Kim, Hyotcherl Ihee, et al.
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of 5
Search research articles
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Showing results (1-10 of 46) with videos related to
Sort By:
Page
of 5
The Journal of Chemical Physics
|
October 15, 2013
Two-component Kramers restricted complete active space self-consistent field method with relativistic effective core potential revisited: theory, implementation, and applications to spin-orbit splitting of lower p-block atoms
Inkoo Kim, Yoon Sup Lee
The Journal of Chemical Physics
|
November 3, 2014
Two-component multi-configurational second-order perturbation theory with Kramers restricted complete active space self-consistent field reference function and spin-orbit relativistic effective core potential
Inkoo Kim, Yoon Sup Lee
The Journal of Chemical Physics
|
March 17, 2007
Theoretical investigation of the alkaline-earth dihydrides from relativistic all-electron, pseudopotential, and density-functional study
Ivan S Lim, Yoon Sup Lee
Journal of Computational Chemistry
|
July 23, 2013
A protocol to evaluate one electron redox potential for iron complexes
Hyungjun Kim, Joungwon Park, Yoon Sup Lee
The Journal of Chemical Physics
|
October 19, 2010
Spin-orbit density functional and ab initio study of HgX(n) (X=F, Cl, Br, and I; n=1, 2, and 4)
Joonghan Kim, Hyotcherl Ihee, Yoon Sup Lee
Journal of Computational Chemistry
|
October 29, 2014
Prediction of the reduction potential of tris(2,2'-bipyridinyl)iron(III/II) derivatives
Hyungjun Kim, Joungwon Park, Yoon Sup Lee
Journal of Molecular Graphics & Modelling
|
July 23, 2008
Structural determination of large molecules through the reassembly of optimized fragments
Jung-Goo Lee, Yoon Sup Lee, Christopher Roland
The Journal of Physical Chemistry. B
|
April 16, 2009
Spin-orbit and electron correlation effects on the structure of EF3 (E = I, At, and element 117)
Hyoseok Kim, Yoon Jeong Choi, Yoon Sup Lee
Journal of Computational Chemistry
|
April 2, 2011
Electronic and chelation effects on the unusual C2-methylation of N-(para-substituted)phenylaziridines with lithium organocuprates
Jongtaek Kim, Eunjung Yoo, Sukbok Chang, et al.
The Journal of Physical Chemistry. A
|
April 21, 2010
Molecular structures, energetics, and electronic properties of neutral and charged Hg(n) clusters (n = 2-8)
Jeewon Kang, Joonghan Kim, Hyotcherl Ihee, et al.
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of 5