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Carmelo Naim
Carmelo Naim
在 univ-nantes.fr 的电子邮件经过验证
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Impact of van der Waals interactions on the structural and nonlinear optical properties of azobenzene switches
C Naim, F Castet, E Matito
Physical Chemistry Chemical Physics 23 (37), 21227-21239, 2021
162021
Are Accelerated and Enhanced Wave Function Methods Accurate to Compute Static Linear and Nonlinear Optical Properties?
C Naim, P Besalú-Sala, R Zalesny, JM Luis, F Castet, E Matito
Journal of Chemical Theory and Computation 19 (6), 1753-1764, 2023
82023
Electric-field induced second harmonic generation responses of push–pull polyenic dyes: experimental and theoretical characterizations
C Naim, R Vangheluwe, I Ledoux-Rak, B Champagne, C Tonnelé, ...
Physical Chemistry Chemical Physics 25 (20), 13978-13988, 2023
72023
Two-Photon Absorption Strengths of Small Molecules: Reference CC3 Values and Benchmarks
C Naim, R Zaleśny, D Jacquemin
Journal of Chemical Theory and Computation 20 (20), 9093-9106, 2024
22024
Dynamic effects on the nonlinear optical properties of donor acceptor stenhouse adducts: insights from combined MD+ QM simulations
A Dellai, C Naim, J Cerezo, G Prampolini, F Castet
Physical Chemistry Chemical Physics 26 (18), 13639-13654, 2024
12024
Extraction of a One-Particle Reduced Density Matrix from a Quantum Monte Carlo Electronic Density: A New Tool for Studying Nondynamic Correlation
C Naim, C Amovilli
Computation 9 (12), 135, 2021
12021
Two-photon Absorption Strengths of Small-and Medium-Sized Molecules: Reference CC3 Values and Benchmarks
C Naim, R Zaleśny, D Jacquemin
2024
Determination of nonlinear optical properties with quantum chemistry: from benchmarks to experimental systems
C Naim
Université de Bordeaux; Universidad del País Vasco, 2022
2022
Analysis of nondynamic electron correlation in DFT
C NAIM
2018
Supporting Information: Impact of Van der Waals interactions on structural and nonlinear optical properties of azobenzene switches
C Naim, F Castet, E Matito
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