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Physical Chemistry Chemical Physics : PCCP
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February 13, 2018
Spin-state dependence of the structural and vibrational properties of solvated iron(ii) polypyridyl complexes from AIMD simulations: aqueous [Fe(bpy)<sub>3</sub>]Cl<sub>2</sub>, a case study
Latévi M Lawson Daku
RSC Advances
|
May 6, 2022
Spin-state dependence of the structural and vibrational properties of solvated iron(ii) polypyridyl complexes from AIMD simulations: III. [Fe(tpen)]Cl<sub>2</sub> in acetonitrile
Latévi M Lawson Daku
Physical Chemistry Chemical Physics : PCCP
|
December 13, 2018
Spin-state dependence of the structural and vibrational properties of solvated iron(ii) polypyridyl complexes from AIMD simulations: II. aqueous [Fe(tpy)<sub>2</sub>]Cl<sub>2</sub>
Latévi M Lawson Daku
The Journal of Physical Chemistry. A
|
September 24, 2024
Improving the Accuracy in the Prediction of Transition-Metal Spin-State Energetics Using a Robust Variation-Based Approach: Density Functional Theory, CASPT2 and MC-PDFT Applied to the Case Study of Tris-Diimine Fe(II) Complexes
Gheorghe Paveliuc, Latévi Max Lawson Daku
Physical Review. A, Atomic, Molecular, and Optical Physics
|
December 1, 1996
Delayed choices in atom Stern-Gerlach interferometry
Lawson-Daku, Asimov, Gorceix, et al.
Journal of Chemical Theory and Computation
|
November 27, 2015
Influence of Guest-Host Interactions on the Structural, Energetic, and Mössbauer Spectroscopy Properties of Iron(II)tris(2,2'-bipyridine) in the Low-Spin and High-Spin States: A Density-Functional Theory Study of the Zeolite-Y Embedded Complex
Alfredo Vargas, Andreas Hauser, Latévi Max Lawson Daku
The Journal of Physical Chemistry. A
|
September 6, 2022
Environmental Control of the Magnetic Behavior of Transition Metal Complexes: Density Functional Theory Study of Zeolite Y Embedded Complexes [M(bpy)<sub>3</sub>]<sup>2+</sup>@Y (M = Fe<sup>2+</sup>, Co<sup>2+</sup>)
Andrea Missana, Andreas Hauser, Latévi Max Lawson Daku
Physical Review. A, Atomic, Molecular, and Optical Physics
|
September 1, 1995
Time selection in atomic Stern-Gerlach interferometry
Lawson-Daku, Asimov, Chormaic, et al.
Inorganic Chemistry
|
May 15, 2009
Density-functional theory study of the stereochemistry of chloroiron(III) and chloromanganese(III) complexes of a bridled chiroporphyrin
Latévi Max Lawson Daku, Anna Castaings, Jean-Claude Marchon
Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry
|
May 29, 2007
Ab initio static and molecular dynamics study of 4-styrylpyridine
Latévi M Lawson Daku, Jorge Linares, Marie-Laure Boillot
Page
of 6
Search research articles
Search
Showing results (1-10 of 53) with videos related to
Sort By:
Page
of 6
Physical Chemistry Chemical Physics : PCCP
|
February 13, 2018
Spin-state dependence of the structural and vibrational properties of solvated iron(ii) polypyridyl complexes from AIMD simulations: aqueous [Fe(bpy)<sub>3</sub>]Cl<sub>2</sub>, a case study
Latévi M Lawson Daku
RSC Advances
|
May 6, 2022
Spin-state dependence of the structural and vibrational properties of solvated iron(ii) polypyridyl complexes from AIMD simulations: III. [Fe(tpen)]Cl<sub>2</sub> in acetonitrile
Latévi M Lawson Daku
Physical Chemistry Chemical Physics : PCCP
|
December 13, 2018
Spin-state dependence of the structural and vibrational properties of solvated iron(ii) polypyridyl complexes from AIMD simulations: II. aqueous [Fe(tpy)<sub>2</sub>]Cl<sub>2</sub>
Latévi M Lawson Daku
The Journal of Physical Chemistry. A
|
September 24, 2024
Improving the Accuracy in the Prediction of Transition-Metal Spin-State Energetics Using a Robust Variation-Based Approach: Density Functional Theory, CASPT2 and MC-PDFT Applied to the Case Study of Tris-Diimine Fe(II) Complexes
Gheorghe Paveliuc, Latévi Max Lawson Daku
Physical Review. A, Atomic, Molecular, and Optical Physics
|
December 1, 1996
Delayed choices in atom Stern-Gerlach interferometry
Lawson-Daku, Asimov, Gorceix, et al.
Journal of Chemical Theory and Computation
|
November 27, 2015
Influence of Guest-Host Interactions on the Structural, Energetic, and Mössbauer Spectroscopy Properties of Iron(II)tris(2,2'-bipyridine) in the Low-Spin and High-Spin States: A Density-Functional Theory Study of the Zeolite-Y Embedded Complex
Alfredo Vargas, Andreas Hauser, Latévi Max Lawson Daku
The Journal of Physical Chemistry. A
|
September 6, 2022
Environmental Control of the Magnetic Behavior of Transition Metal Complexes: Density Functional Theory Study of Zeolite Y Embedded Complexes [M(bpy)<sub>3</sub>]<sup>2+</sup>@Y (M = Fe<sup>2+</sup>, Co<sup>2+</sup>)
Andrea Missana, Andreas Hauser, Latévi Max Lawson Daku
Physical Review. A, Atomic, Molecular, and Optical Physics
|
September 1, 1995
Time selection in atomic Stern-Gerlach interferometry
Lawson-Daku, Asimov, Chormaic, et al.
Inorganic Chemistry
|
May 15, 2009
Density-functional theory study of the stereochemistry of chloroiron(III) and chloromanganese(III) complexes of a bridled chiroporphyrin
Latévi Max Lawson Daku, Anna Castaings, Jean-Claude Marchon
Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry
|
May 29, 2007
Ab initio static and molecular dynamics study of 4-styrylpyridine
Latévi M Lawson Daku, Jorge Linares, Marie-Laure Boillot
Page
of 6