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Accounts of Chemical Research
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February 25, 2015
Taking up the cyanine challenge with quantum tools
Boris Le Guennic, Denis Jacquemin
Physical Chemistry Chemical Physics : PCCP
|
February 13, 2024
<i>Ab initio</i> investigations of circularly polarised luminescence in Samarium(III)-based complexes
Maxime Grasser, Boris Le Guennic
Chemistry (Weinheim an Der Bergstrasse, Germany)
|
May 18, 2004
Solvent effects on 195Pt and 205Tl NMR chemical shifts of the complexes [(NC)5Pt--Tl(CN)n]n- (n=0-3), and [(NC)5Pt--Tl--Pt(CN)5]3- studied by relativistic density functional theory
Jochen Autschbach, Boris Le Guennic
Journal of the American Chemical Society
|
October 30, 2003
A theoretical study of the NMR spin-spin coupling constants of the complexes [(NC)(5)Pt-Tl(CN)(n)](n-) (n = 0-3) and [(NC)(5)Pt-Tl-Pt(CN)(5)](3-): a lesson on environmental effects
Jochen Autschbach, Boris Le Guennic
The Journal of Physical Chemistry Letters
|
September 25, 2024
Computation of Magnetic Exchange Couplings in Photoexcited Systems Based on KS-DFT
Grégoire David, Boris Le Guennic
Physical Chemistry Chemical Physics : PCCP
|
November 10, 2011
Aza-boron-dipyrromethene dyes: TD-DFT benchmarks, spectral analysis and design of original near-IR structures
Boris Le Guennic, Olivier Maury, Denis Jacquemin
The Journal of Physical Chemistry. A
|
March 13, 2012
Calculation of magnetic couplings in hydrogen-bonded Cu(II) complexes using density functional theory
Nuno A G Bandeira, Boris Le Guennic
Journal of Chemical Theory and Computation
|
December 8, 2022
Consistent Evaluation of Magnetic Exchange Couplings in Multicenter Compounds in KS-DFT: The Recomposition Method
Grégoire David, Nicolas Ferré, Boris Le Guennic
Inorganic Chemistry
|
November 24, 2007
Prussian blue analogue CsFe[Cr(CN)(6)] as a matrix for the Fe(II) spin-crossover
Boris Le Guennic, Serguei Borshch, Vincent Robert
The Journal of Physical Chemistry Letters
|
August 13, 2015
Toward an Enhancement of the Photoactivity of Multiphotochromic Dimers Using Plasmon Resonance: A Theoretical Study
Arnaud Fihey, Boris Le Guennic, Denis Jacquemin
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Search research articles
Search
Showing results (1-10 of 213) with videos related to
Sort By:
Page
of 22
Accounts of Chemical Research
|
February 25, 2015
Taking up the cyanine challenge with quantum tools
Boris Le Guennic, Denis Jacquemin
Physical Chemistry Chemical Physics : PCCP
|
February 13, 2024
<i>Ab initio</i> investigations of circularly polarised luminescence in Samarium(III)-based complexes
Maxime Grasser, Boris Le Guennic
Chemistry (Weinheim an Der Bergstrasse, Germany)
|
May 18, 2004
Solvent effects on 195Pt and 205Tl NMR chemical shifts of the complexes [(NC)5Pt--Tl(CN)n]n- (n=0-3), and [(NC)5Pt--Tl--Pt(CN)5]3- studied by relativistic density functional theory
Jochen Autschbach, Boris Le Guennic
Journal of the American Chemical Society
|
October 30, 2003
A theoretical study of the NMR spin-spin coupling constants of the complexes [(NC)(5)Pt-Tl(CN)(n)](n-) (n = 0-3) and [(NC)(5)Pt-Tl-Pt(CN)(5)](3-): a lesson on environmental effects
Jochen Autschbach, Boris Le Guennic
The Journal of Physical Chemistry Letters
|
September 25, 2024
Computation of Magnetic Exchange Couplings in Photoexcited Systems Based on KS-DFT
Grégoire David, Boris Le Guennic
Physical Chemistry Chemical Physics : PCCP
|
November 10, 2011
Aza-boron-dipyrromethene dyes: TD-DFT benchmarks, spectral analysis and design of original near-IR structures
Boris Le Guennic, Olivier Maury, Denis Jacquemin
The Journal of Physical Chemistry. A
|
March 13, 2012
Calculation of magnetic couplings in hydrogen-bonded Cu(II) complexes using density functional theory
Nuno A G Bandeira, Boris Le Guennic
Journal of Chemical Theory and Computation
|
December 8, 2022
Consistent Evaluation of Magnetic Exchange Couplings in Multicenter Compounds in KS-DFT: The Recomposition Method
Grégoire David, Nicolas Ferré, Boris Le Guennic
Inorganic Chemistry
|
November 24, 2007
Prussian blue analogue CsFe[Cr(CN)(6)] as a matrix for the Fe(II) spin-crossover
Boris Le Guennic, Serguei Borshch, Vincent Robert
The Journal of Physical Chemistry Letters
|
August 13, 2015
Toward an Enhancement of the Photoactivity of Multiphotochromic Dimers Using Plasmon Resonance: A Theoretical Study
Arnaud Fihey, Boris Le Guennic, Denis Jacquemin
Page
of 22