MM
Marco Micciarelli
Models, Molecularphysics.chem-phElectronsModels, ChemicalMolecular Dynamics Simulationphysics.comp-phQuantum TheoryVibration
On Valency
published · living versionsW_428wvzzq·v1 · currentpublished
Multimodel Approach to the Optical Properties of Molecular Dyes in Solution
with Iurii Timrov, Marta Rosa, Arrigo Calzolari, Stefano Baroni
1 version
Preprints & journals
11 papers in the corpus · 2011–2022Quantum Anharmonic Calculations of Vibrational Spectra for Water Adsorbed on Titania Anatase(101) Surface: Dissociative versus Molecular Adsorption.35928238 · Cazzaniga, Marco, Micciarelli, Marco, Gabas, Fabio et al.2022 · 13 citationsThe journal of physical chemistry. C, Nanomaterials and interfaces. 2022;126(29):12060-12073
Representing molecular ground and excited vibrational eigenstates with nuclear densities obtained from semiclassical initial value representation molecular dynamics.33291909 · Aieta, Chiara, Bertaina, Gianluca, Micciarelli, Marco et al.2020 · 24 citationsThe Journal of chemical physics. 2020;153(21):214117
Anharmonic quantum nuclear densities from full dimensional vibrational eigenfunctions with application to protonated glycine.32859910 · Aieta, Chiara, Micciarelli, Marco, Bertaina, Gianluca et al.2020 · 40 citationsNature communications. 2020;11(1):4348
Anharmonic calculations of vibrational spectra for molecular adsorbates: A divide-and-conquer semiclassical molecular dynamics approach.32171221 · Cazzaniga, Marco, Micciarelli, Marco, Moriggi, Francesco et al.2020 · 27 citationsThe Journal of chemical physics. 2020;152(10):104104
Unraveling the molecular mechanisms of color expression in anthocyanins.30968901 · Rusishvili, Mariami, Grisanti, Luca, Laporte, Sara et al.2019 · 43 citationsPhysical chemistry chemical physics : PCCP. 2019;21(17):8757-8766
Characterization of the Photochemical Properties of 5-Benzyluracil via Time-Dependent Density Functional Theory.28467074 · Micciarelli, M, Curchod, B F E, Bonella, S et al.2018 · 16 citationsThe journal of physical chemistry. A. 2017;121(20):3909-3917
Sampling Molecular Conformers in Solution with Quantum Mechanical Accuracy at a Nearly Molecular-Mechanics Cost.27494227 · Rosa, Marta, Micciarelli, Marco, Laio, Alessandro et al.2018 · 18 citationsJournal of chemical theory and computation. 2016;12(9):4385-9
Multimodel Approach to the Optical Properties of Molecular Dyes in Solution.27442613 · Timrov, Iurii, Micciarelli, Marco, Rosa, Marta et al.2018 · 19 citationsJournal of chemical theory and computation. 2016;12(9):4423-9
Photophysics and photochemistry of a DNA-protein cross-linking model: a synergistic approach combining experiments and theory.24742276 · Micciarelli, Marco, Valadan, Mohammadhassan, Della Ventura, Bartolomeo et al.2015 · 17 citationsThe journal of physical chemistry. B. 2014;118(19):4983-92
Low-lying excited-states of 5-benzyluracil.23558515 · Micciarelli, Marco, Altucci, Carlo, Della Ventura, Bartolomeo et al.2013 · 14 citationsPhysical chemistry chemical physics : PCCP. 2013;15(19):7161-73
Pushing the frontiers of first-principles based computer simulations of chemical and biological systems.22026176 · Brunk, Elizabeth, Ashari, Negar, Athri, Prashanth et al.2011 · 25 citationsChimia. 2011;65(9):667-71
Career total: 21 works. 11 are in this corpus.
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