GW Approximation Coupled with Classical Fluctuating Charges and Dipoles

- Nottoli G. - Lafiosca P. - Quintela Rodríguez F.E. - Franco Egidi - Förster A. - Chiara Cappelli
Journal of Chemical Theory and Computation

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Multiscale Simulation and Optimization of OLED Devices with Quantum Chemistry and Kinetic Monte Carlo Simulations

- Goumans T.P.M. - Franco Egidi - Klumpers B. - Rueger R. - Bobbert P.A. - Coehoorn R.
Digest of Technical Papers SID International Symposium

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The Amsterdam Modeling Suite

- Baerends E.J. - Aguirre N.F. - Austin N.D. - Autschbach J. - Bickelhaupt F.M. - Bulo R. - Chiara Cappelli - van Duin A.C.T. - Franco Egidi - Fonseca Guerra C. - Förster A. - Franchini M. - Goumans T.P.M. - Heine T. - Hellström M. - Jacob C.R. - Jensen L. - Krykunov M. - van Lenthe E. - Michalak A. - Mitoraj M.M. - Neugebauer J. - Nicu V.P. - Philipsen P. - Ramanantoanina H. - Rüger R. - Schreckenbach G. - Stener M. - Swart M. - Thijssen J.M. - Trnka T. - Visscher L. - Yakovlev A. - van Gisbergen S.
Journal of Chemical Physics

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Multiscale Frozen Density Embedding/Molecular Mechanics Approach for Simulating Magnetic Response Properties of Solvated Systems

- Lafiosca P. - Rossi F. - Franco Egidi - Tommaso Giovannini - Chiara Cappelli
Journal of Chemical Theory and Computation

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Towards a cost-effective modeling of fluorescence in the condensed phase

- Skoko S. - Micheletti C. - Grifoni E. - Franco Egidi - Tommaso Giovannini - Pucci A. - Chiara Cappelli
Dyes and Pigments

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UV-Resonance Raman Spectra of Systems in Complex Environments: A Multiscale Modeling Applied to Doxorubicin Intercalated into DNA

- Gómez S. - Lafiosca P. - Franco Egidi - Tommaso Giovannini - Chiara Cappelli
Journal of Chemical Information and Modeling

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Amide Spectral Fingerprints are Hydrogen Bonding-Mediated

- Gómez S. - Bottari C. - Franco Egidi - Tommaso Giovannini - Rossi B. - Chiara Cappelli
The journal of physical chemistry letters

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Computational hints for the simultaneous spectroscopic detection of common contaminants in water

- Uribe L. - Gómez S. - Franco Egidi - Tommaso Giovannini - Restrepo A.
Journal of Molecular Liquids

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Unlocking the power of resonance Raman spectroscopy: The case of amides in aqueous solution

- Gómez S. - Franco Egidi - Puglisi A. - Tommaso Giovannini - Rossi B. - Chiara Cappelli
Journal of Molecular Liquids

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An efficient and robust procedure to calculate absorption spectra of aqueous charged species applied to NO2⁻

- Uribe L. - Gómez S. - Tommaso Giovannini - Franco Egidi - Restrepo A.
Physical Chemistry Chemical Physics

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