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Risultati 1 - 14 di 14 (tempo di esecuzione: 0.006 secondi).
Titolo Data di pubblicazione Autore(i) File
Carotenoids and Light-Harvesting: From DFT/MRCI to the Tamm–Dancoff Approximation 1-gen-2015 Andreussi, Oliviero; Stefan, Knecht; Christel M., Marian; Jacob, Kongsted; Mennucci, Benedetta
Dramatic Increase in the Oxygen Reduction Reaction for Platinum Cathodes from Tuning the Solvent Dielectric Constant 1-gen-2014 Alessandro, Fortunelli; William A., Goddard; Yao, Sha; Ted H., Yu; Luca, Sementa; Giovanni, Barcaro; Andreussi, Oliviero
Electrochemical Windows of Room-Temperature Ionic Liquids from Molecular Dynamics and Density Functional Theory Calculations 1-gen-2011 Ong Shyue, Ping; Andreussi, Oliviero; Wu, Yabi; Marzari, Nicola; Ceder, Gerbrand
Electrostatics of solvated systems in periodic boundary conditions 1-gen-2014 Andreussi, Oliviero; Nicola, Marzari
Identifying, By First-Principles Simulations, Cu[Amyloid-beta] Species Making Fenton-Type Reactions in Alzheimer's Disease 1-gen-2013 La Penna, G; Hureau, C; Andreussi, Oliviero; Faller, P.
Non-equilibrium dynamics and structure of interfacial ice 1-gen-2006 Andreussi, Oliviero; Donadio, Davide; Parrinello, Michele; Zewail Ahmed, H.
Plasmon-Controlled Light-Harvesting: Design Rules for Biohybrid Devices via Multiscale Modeling 1-gen-2013 Andreussi, Oliviero; Alessandro, Biancardi; Stefano, Corni; Mennucci, Benedetta
Radiative and nonradiative decay rates of a molecule close to a metal particle of complex shape 1-gen-2004 Andreussi, Oliviero; Corni, S.; Mennucci, Benedetta; Tomasi, Iacopo
Revised self-consistent continuum solvation in electronic-structure calculations. 1-gen-2012 Andreussi, Oliviero; Dabo, Ismaila; Marzari, Nicola
Self-consistent continuum solvation (SCCS): The case of charged systems 1-gen-2013 Dupont, C; Andreussi, Oliviero; Marzari, N.
Self-consistent continuum solvation for optical absorption of complex molecular systems in solution 1-gen-2015 Iurii, Timrov; Andreussi, Oliviero; Alessandro, Biancardi; Nicola, Marzari; Stefano, Baroni
Semiempirical (ZINDO-PCM) approach to predict the radiative and nonradiative decay rates of a molecule close to metal particles 1-gen-2006 Caricato, Marco; Andreussi, Oliviero; Corni, Stefano
The interplay between surface-water and hydrogen bonding in a water adlayer on Pt(111) and Ag(111) 1-gen-2007 Delle Site, Luigi; Ghiringhelli Luca, M.; Andreussi, Oliviero; Donadio, Davide; Parrinello, Michele
Transport Properties of Room-Temperature Ionic Liquids from Classical Molecular Dynamics 1-gen-2012 Andreussi, Oliviero; Marzari, N.