Exploring Membrane Cholesterol Binding to the CB1 Receptor: A Computational Perspective

- Vanegas M.J. - Gómez S. - Chiara Cappelli - Miscione G.P.
Journal of Physical Chemistry B

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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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Modeling Raman Spectra in Complex Environments: From Solutions to Surface-Enhanced Raman Scattering

- Tommaso Giovannini - Gómez S. - Chiara Cappelli
Journal of Physical Chemistry Letters

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Mixed atomistic-implicit quantum/classical approach to molecular nanoplasmonics

- Illobre P.G. - Lafiosca P. - Bonatti L. - Tommaso Giovannini - Chiara Cappelli
Journal of Chemical Physics

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Fully Polarizable Multiconfigurational Self-Consistent Field/Fluctuating Charges Approach

- Sepali C. - Goletto L. - Lafiosca P. - Rinaldi M. - Tommaso Giovannini - Chiara Cappelli
Journal of Chemical Theory and Computation

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Atomistic Multiscale Modeling of Colloidal Plasmonic Nanoparticles

- Nicoli L. - Sodomaco S. - Lafiosca P. - Tommaso Giovannini - Chiara Cappelli
ACS Physical Chemistry Au

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Towards a complete description of the reaction mechanisms between nitrenium ions and water

- Gómez S. - Rojas-Valencia N. - Chiara Cappelli - Weinhold F. - Restrepo A.
Journal of Molecular Modeling

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Real-Time Formulation of Atomistic Electromagnetic Models for Plasmonics

- Lafiosca P. - Nicoli L. - Pipolo S. - Corni S. - Tommaso Giovannini - Chiara Cappelli
Journal of Physical Chemistry C

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When Tautomers Matter: UV-Vis Absorption Spectra of Hypoxanthine in Aqueous Solution from Fully Atomistic Simulations

- Gómez S. - Chiara Cappelli
ChemPhysChem

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The Role of Hydrogen Bonding in the Raman Spectral Signals of Caffeine in Aqueous Solution

- Gómez S. - Chiara Cappelli
Molecules

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