Activities per year
Activities
- 14 results
Search results
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Exploration of charge-compensating correction schemes for predicting the redox potentials: application to nitroxides
Beaujean, P. (Speaker)
4 Jul 2024Activity: Talk or presentation types › Oral presentation
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Unraveling the behavior of Ca anode in B-containing salt electrolytes: a computational study
Beaujean, P. (Speaker)
9 Jul 2024Activity: Talk or presentation types › Oral presentation
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Ruthenium Complexes as a Test System to Unravel the Symmetry Effects on the Second-Order Nonlinear Optical Responses of Molecular Switches
Beaujean, P. (Speaker)
28 Aug 2023Activity: Talk or presentation types › Oral presentation
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Implicit solvation models for NLO properties: from Onsager to PCM and SMD
Beaujean, P. (Speaker)
31 May 2023Activity: Talk or presentation types › Oral presentation
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All-Atom Quantum Mechanical Calculation of the Second Harmonic Generation of Fluorescent Proteins
Beaujean, P. (Speaker)
29 Aug 2022Activity: Talk or presentation types › Oral presentation
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Quantum Chemistry Investigations on Nonlinear Optical Materials: from Reference to Complex Systems
Beaujean, P. (Speaker)
2 Jun 2022Activity: Talk or presentation types › Oral presentation
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Effets de la symétrie sur la réponse optique non linéaire du deuxième ordre d’interrupteurs moléculaires : le cas de complexes au ruthénium
Beaujean, P. (Speaker)
29 Jun 2022Activity: Talk or presentation types › Oral presentation
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All-Atom Quantum Mechanical Calculation of the Second-Harmonic Generation of Fluorescent Proteins
Beaujean, P. (Speaker)
19 Nov 2021Activity: Talk or presentation types › Oral presentation
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Evaluating the electronic and vibrational contributions to second and third harmonic scattering responses
BEAUJEAN, P. (Speaker)
1 Sept 2019 → 5 Sept 2019Activity: Talk or presentation types › Oral presentation
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Prediction and analysis of the electronic and vibrational contributions to the second and third harmonic scattering responses using ab initio methods
Beaujean, P. (Speaker)
21 Sept 2018Activity: Talk or presentation types › Oral presentation
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Coupled cluster evaluation of the second and third harmonic scattering responses of small molecules
Beaujean, P. (Speaker)
23 May 2018Activity: Talk or presentation types › Oral presentation
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Coupled Cluster evaluation of the frequency dispersion of first and second hyperpolarizabilities of water, methanol, and dimethyl ether
Beaujean, P. (Speaker)
6 Sept 2016Activity: Talk or presentation types › Oral presentation
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RF-CCSD hyperpolarizability calculations - Application to small molecules
Beaujean, P. (Speaker)
4 Mar 2016Activity: Talk or presentation types › Oral presentation
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RF-CCSD hyperpolarizability calculations - Application to small molecules
Beaujean, P. (Speaker)
29 Jan 2016Activity: Talk or presentation types › Oral presentation