Publications by authors named "Angela Acocella"

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MiMiC: A high-performance framework for multiscale molecular dynamics simulations.
Andrej Antalík, Andrea Levy, Sonata Kvedaravičiūtė, Sophia K Johnson, David Carrasco-Busturia, Angela Acocella

J Chem Phys· July 2024

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High-resolution crystal structure of a 20 kDa superfluorinated gold nanocluster.
Claudia Pigliacelli, Angela Acocella, Isabel Díez, Luca Moretti, Valentina Dichiarante

Nat Commun· May 2022

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Electron Dynamics with Explicit-Time Density Functional Theory of the [4+2] Diels-Alder Reaction.
Angela Acocella, Tainah D Marforio, Matteo Calvaresi, Andrea Bottoni, Francesco Zerbetto

J Chem Theory Comput· April 2020

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One- and two-photon absorption properties of quadrupolar thiophene-based dyes with acceptors of varying strengths.
Sofia Canola, Lorenzo Mardegan, Giacomo Bergamini, Marco Villa, Angela Acocella

Photochem Photobiol Sci· September 2019

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White and Colored Noises as Driving Forces of Electron Transfer: The Photolyase Repair Mechanism as a Test Case.
Jacopo Fadanni, Angela Acocella, Francesco Zerbetto

J Phys Chem Lett· August 2019

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Effects of knot tightness at the molecular level.
Liang Zhang, Jean-François Lemonnier, Angela Acocella, Matteo Calvaresi, Francesco Zerbetto

Proc Natl Acad Sci U S A· February 2019

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Structural determinants in the bulk heterojunction.
Angela Acocella, Siegfried Höfinger, Ernst Haunschmid, Sergiu C Pop, Tetsu Narumi

Phys Chem Chem Phys· February 2018

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Time-dependent quantum simulation of coronene photoemission spectra.
Angela Acocella, Monica de Simone, Fabrizio Evangelista, Marcello Coreno, Petra Rudolf

Phys Chem Chem Phys· May 2016

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Imaging, photophysical properties and DFT calculations of manganese blue (barium manganate(VI) sulphate)--a modern pigment.
Gianluca Accorsi, Giovanni Verri, Angela Acocella, Francesco Zerbetto, Giovanni Lerario

Chem Commun (Camb)· December 2014

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Excitation Energy Transfer and Low-Efficiency Photolytic Splitting of Water Ice by Vacuum UV Light.
Angela Acocella, Garth A Jones, Francesco Zerbetto

J Phys Chem Lett· December 2012

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GPU-accelerated computation of electron transfer.
Siegfried Höfinger, Angela Acocella, Sergiu C Pop, Tetsu Narumi, Kenji Yasuoka

J Comput Chem· November 2012

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Quantum study of laser-induced initial activation of graphite-to-diamond conversion.
Angela Acocella, Fabrizio Carbone, Francesco Zerbetto

J Am Chem Soc· September 2010

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What is adenine doing in photolyase?
Angela Acocella, Garth A Jones, Francesco Zerbetto

J Phys Chem B· March 2010

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On-the-fly, electric-field-driven, coupled electron-nuclear dynamics.
Garth A Jones, Angela Acocella, Francesco Zerbetto

J Phys Chem A· October 2008

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Mono- and bichromatic electron dynamics: LiH, a test case.
Angela Acocella, Garth A Jones, Francesco Zerbetto

J Phys Chem A· April 2006

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Pyridinedicarboxamide strands form double helices via an activated slippage mechanism.
Angela Acocella, Alessandro Venturini, Francesco Zerbetto

J Am Chem Soc· March 2004

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