Luppi E - Search Results

1

Probing the molecular frame of uracil and thymine with high-harmonic generation spectroscopy.

Luppi E, Coccia E. Luppi E, et al. Phys Chem Chem Phys. 2021 Feb 19;23(6):3729-3738. doi: 10.1039/d0cp05559j. Phys Chem Chem Phys. 2021. PMID: 33395454

2

Communications: Ab initio second-order nonlinear optics in solids.

Luppi E, Hübener H, Véniard V. Luppi E, et al. J Chem Phys. 2010 Jun 28;132(24):241104. doi: 10.1063/1.3457671. J Chem Phys. 2010. PMID: 20590173

3

The role of Rydberg and continuum levels in computing high harmonic generation spectra of the hydrogen atom using time-dependent configuration interaction.

Luppi E, Head-Gordon M. Luppi E, et al. J Chem Phys. 2013 Oct 28;139(16):164121. doi: 10.1063/1.4824482. J Chem Phys. 2013. PMID: 24182018 Free article.

4

Defects and strain enhancements of second-harmonic generation in Si/Ge superlattices.

Bertocchi M, Luppi E, Degoli E, Véniard V, Ossicini S. Bertocchi M, et al. Among authors: luppi e. J Chem Phys. 2014 Jun 7;140(21):214705. doi: 10.1063/1.4880756. J Chem Phys. 2014. PMID: 24908033

5

Toward an Understanding of the Oxidation Process of Methionine Enkephalin: A Combined Electrochemistry, Quantum Chemistry and Quantum Chemical Topology Analysis.

Bergès J, Kamar A, de Oliveira P, Pilmé J, Luppi E, Houée-Levin C. Bergès J, et al. Among authors: luppi e. J Phys Chem B. 2015 Jun 11;119(23):6885-93. doi: 10.1021/acs.jpcb.5b01207. Epub 2015 May 28. J Phys Chem B. 2015. PMID: 25951918

6

Photoactivity of Molecule-TiO2 Clusters with Time-Dependent Density-Functional Theory.

Luppi E, Urdaneta I, Calatayud M. Luppi E, et al. J Phys Chem A. 2016 Jul 14;120(27):5115-24. doi: 10.1021/acs.jpca.6b00477. Epub 2016 May 4. J Phys Chem A. 2016. PMID: 27082739

7

Ab initio lifetime correction to scattering states for time-dependent electronic-structure calculations with incomplete basis sets.

Coccia E, Assaraf R, Luppi E, Toulouse J. Coccia E, et al. Among authors: luppi e. J Chem Phys. 2017 Jul 7;147(1):014106. doi: 10.1063/1.4991563. J Chem Phys. 2017. PMID: 28688444

8

Optimal Basis Set for Electron Dynamics in Strong Laser Fields: The case of Molecular Ion H₂.

Labeye M, Zapata F, Coccia E, Véniard V, Toulouse J, Caillat J, Taïeb R, Luppi E. Labeye M, et al. Among authors: luppi e. J Chem Theory Comput. 2018 Nov 13;14(11):5846-5858. doi: 10.1021/acs.jctc.8b00656. Epub 2018 Oct 15. J Chem Theory Comput. 2018. PMID: 30247900 Free PMC article.

9

Long-range corrected exchange-correlation kernels to describe excitons in second-harmonic generation.

Gauriot N, Véniard V, Luppi E. Gauriot N, et al. Among authors: luppi e. J Chem Phys. 2019 Dec 21;151(23):234111. doi: 10.1063/1.5126501. J Chem Phys. 2019. PMID: 31864278

10

Role of exchange and correlation in high-harmonic generation spectra of H₂, N₂, and CO₂: Real-time time-dependent electronic-structure approaches.

Pauletti CF, Coccia E, Luppi E. Pauletti CF, et al. Among authors: luppi e. J Chem Phys. 2021 Jan 7;154(1):014101. doi: 10.1063/5.0033072. J Chem Phys. 2021. PMID: 33412879

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