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Mickaël G Delcey

Showing results (1-10 of 27) with videos related to

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International Journal of Biological Macromolecules|August 22, 2020
Unravelling the mechanism of pH-regulation in dinoflagellate luciferaseNatasha Kamerlin, Mickaël G Delcey, Roland Lindh
Physical Chemistry Chemical Physics : PCCP|June 13, 2024
Perspective: multi-configurational methods in bio-inorganic chemistryFrederik K Jørgensen, Mickaël G Delcey, Erik D Hedegård
The Journal of Chemical Physics|August 3, 2015
Analytical gradients of the state-average complete active space self-consistent field method with density fittingMickaël G Delcey, Thomas Bondo Pedersen, Francesco Aquilante, et al.
Journal of Chemical Information and Modeling|July 11, 2020
Toward a Computational Ecotoxicity AssayNatasha Kamerlin, Mickaël G Delcey, Sergio Manzetti, et al.
The Journal of Chemical Physics|October 3, 2014
Restricted active space calculations of L-edge X-ray absorption spectra: from molecular orbitals to multiplet statesRahul V Pinjari, Mickaël G Delcey, Meiyuan Guo, et al.
Journal of Chemical Theory and Computation|June 22, 2016
Analytical State-Average Complete-Active-Space Self-Consistent Field Nonadiabatic Coupling Vectors: Implementation with Density-Fitted Two-Electron Integrals and Application to Conical IntersectionsIgnacio Fdez Galván, Mickaël G Delcey, Thomas Bondo Pedersen, et al.
Journal of Computational Chemistry|October 28, 2015
Cost and sensitivity of restricted active-space calculations of metal L-edge X-ray absorption spectraRahul V Pinjari, Mickaël G Delcey, Meiyuan Guo, et al.
Structural Dynamics (Melville, N.Y.)|July 16, 2020
Origin of core-to-core x-ray emission spectroscopy sensitivity to structural dynamicsMorgane Vacher, Kristjan Kunnus, Mickaël G Delcey, et al.
The Journal of Chemical Physics|February 16, 2015
Erratum: "Restricted active space calculations of L-edge X-ray absorption spectra: From molecular orbitals to multiplet states" [J. Chem. Phys. 141, 124116 (2014)]Rahul V Pinjari, Mickaël G Delcey, Meiyuan Guo, et al.
Physical Chemistry Chemical Physics : PCCP|January 9, 2016
Simulations of iron K pre-edge X-ray absorption spectra using the restricted active space methodMeiyuan Guo, Lasse Kragh Sørensen, Mickaël G Delcey, et al.
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Showing results (1-10 of 27) with videos related to

Sort By:
Pageof 3
International Journal of Biological Macromolecules|August 22, 2020
Unravelling the mechanism of pH-regulation in dinoflagellate luciferaseNatasha Kamerlin, Mickaël G Delcey, Roland Lindh
Physical Chemistry Chemical Physics : PCCP|June 13, 2024
Perspective: multi-configurational methods in bio-inorganic chemistryFrederik K Jørgensen, Mickaël G Delcey, Erik D Hedegård
The Journal of Chemical Physics|August 3, 2015
Analytical gradients of the state-average complete active space self-consistent field method with density fittingMickaël G Delcey, Thomas Bondo Pedersen, Francesco Aquilante, et al.
Journal of Chemical Information and Modeling|July 11, 2020
Toward a Computational Ecotoxicity AssayNatasha Kamerlin, Mickaël G Delcey, Sergio Manzetti, et al.
The Journal of Chemical Physics|October 3, 2014
Restricted active space calculations of L-edge X-ray absorption spectra: from molecular orbitals to multiplet statesRahul V Pinjari, Mickaël G Delcey, Meiyuan Guo, et al.
Journal of Chemical Theory and Computation|June 22, 2016
Analytical State-Average Complete-Active-Space Self-Consistent Field Nonadiabatic Coupling Vectors: Implementation with Density-Fitted Two-Electron Integrals and Application to Conical IntersectionsIgnacio Fdez Galván, Mickaël G Delcey, Thomas Bondo Pedersen, et al.
Journal of Computational Chemistry|October 28, 2015
Cost and sensitivity of restricted active-space calculations of metal L-edge X-ray absorption spectraRahul V Pinjari, Mickaël G Delcey, Meiyuan Guo, et al.
Structural Dynamics (Melville, N.Y.)|July 16, 2020
Origin of core-to-core x-ray emission spectroscopy sensitivity to structural dynamicsMorgane Vacher, Kristjan Kunnus, Mickaël G Delcey, et al.
The Journal of Chemical Physics|February 16, 2015
Erratum: "Restricted active space calculations of L-edge X-ray absorption spectra: From molecular orbitals to multiplet states" [J. Chem. Phys. 141, 124116 (2014)]Rahul V Pinjari, Mickaël G Delcey, Meiyuan Guo, et al.
Physical Chemistry Chemical Physics : PCCP|January 9, 2016
Simulations of iron K pre-edge X-ray absorption spectra using the restricted active space methodMeiyuan Guo, Lasse Kragh Sørensen, Mickaël G Delcey, et al.
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