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List of works by Annapaola Migani

A Systematic Study of the Structure and Bonding of Halogens on Low-Index Transition Metal Surfaces

A global picture of the S1/S0 conical intersection seam of benzene

scientific article published in November 2010

A non-adiabatic quantum-classical dynamics study of the intramolecular excited state hydrogen transfer in ortho-nitrobenzaldehyde

article

An extended conical intersection seam associated with a manifold of decay paths: excited-state intramolecular proton transfer in O-hydroxybenzaldehyde

scientific article published on 13 May 2008

Benign decay vs. photolysis in the photophysics and photochemistry of 5-bromouracil. A computational study

scientific article published in May 2009

CASPT2//CASSCF and TDDFT//CASSCF Mapping of the Excited State Isomerization Path of a Minimal Model of the Retinal Chromophore

Chemisorption of atomic chlorine on metal surfaces and the interpretation of the induced work function changes

scholarly article by Annapaola Migani et al published January 2005 in Surface Science

Comparing Quasiparticle H2O Level Alignment on Anatase and Rutile TiO2 ⬇️

Correction to “Using G0W0 Level Alignment to Identify Catechol’s Structure on TiO2(110)”

scholarly article published in Journal of Physical Chemistry C

Coverage dependence of the level alignment for methanol on TiO2(110) ⬇️

Density Functional Modeling of the Interactions of Platinum Clusters with CeO2 Nanoparticles of Different Size

Density functional studies of model cerium oxide nanoparticles

article

Design and photochemical characterization of a biomimetic light-driven Z/E switcher

scientific article

Dramatic reduction of the oxygen vacancy formation energy in ceria particles: a possible key to their remarkable reactivity at the nanoscale

article by Annapaola Migani et al published 2010 in Journal of Materials Chemistry

Early events in the photochemistry of 5-diazo Meldrum's acid: formation of a product manifold in C-N bound and pre-dissociated intersection seam regions

scientific article published on November 2016

Effects of deposited Pt particles on the reducibility of CeO2(111)

scientific article published on 17 May 2011

Electric field induced electron transfer at the adsorbate-surface interface. Effect of the type of metal surface

scientific article published on 11 August 2005

Electronic states of o-nitrobenzaldehyde: a combined experimental and theoretical study

scientific article published on 21 May 2008

Excitonic Interfacial Proton-Coupled Electron Transfer Mechanism in the Photocatalytic Oxidation of Methanol to Formaldehyde on TiO2(110).

scientific article

Exploring Ce[sup 3+]/Ce[sup 4+] cation ordering in reduced ceria nanoparticles using interionic-potential and density-functional calculations

scientific article published on 01 August 2009

Formation of Superoxide Anions on Ceria Nanoparticles by Interaction of Molecular Oxygen with Ce3+ Sites

Gold and Methane: A Noble Combination for Delicate Oxidation

Greatly facilitated oxygen vacancy formation in ceria nanocrystallites

scientific article published on 02 July 2010

Irreversible phototautomerization of o-phthalaldehyde through electronic relocation

scientific article published on 28 March 2012

Level alignment of a prototypical photocatalytic system: methanol on TiO2(110).

scientific article published on 26 July 2013

MS-CASPT2 Assignment of the UV/Vis Absorption Spectrum of Diazoquinones Undergoing the Photoinduced Wolff Rearrangement

scientific article published on 04 August 2009

Modeling thymine photodimerizations in DNA: mechanism and correlation diagrams

scientific article published on 6 November 2007

Octahedrality versus tetrahedrality in stoichiometric ceria nanoparticles

scientific article published on 23 March 2012

Optical Absorption Spectra and Excitons of Dye-Substrate Interfaces: Catechol on TiO2(110). ⬇️

scientific article published on 16 May 2016

Oxygen vacancies in self-assemblies of ceria nanoparticles

Photoisomerization acceleration in retinal protonated Schiff-base models

scientific article

Photostability versus Photodegradation in the Excited-State Intramolecular Proton Transfer of Nitro Enamines: Competing Reaction Paths and Conical Intersections

scientific article published on 03 March 2007

Probing the Photochemical Funnel of a Retinal Chromophore Model via Zero-Point Energy Sampling Semiclassical Dynamics

Quasiparticle Level Alignment for Photocatalytic Interfaces ⬇️

scientific article published on 25 April 2014

Quasiparticle interfacial level alignment of highly hybridized frontier levels: H2O on TiO2(110). ⬇️

scientific article published on 3 December 2014

Relationship between photoisomerization path and intersection space in a retinal chromophore model.

scientific article published in March 2003

Requirements for the generalization of the ab initio two-state model for external electric field induced electron transfer at electrodes

article

Structure of the intersection space associated with ZIE photoisomerization of retinal in rhodopsin proteins

scientific article published in January 2004

Support nanostructure boosts oxygen transfer to catalytically active platinum nanoparticles

scientific article published on 20 March 2011

The Ring-Opening Reaction of Chromenes: A Photochemical Mode-Dependent Transformation

scientific article published on 01 October 2005

Theoretical study of non-Hammett vs. Hammett behaviour in the thermolysis and photolysis of arylchlorodiazirines

scientific article

Towards size-converged properties of model ceria nanoparticles: Monitoring by adsorbed CO using DFT+U approach

article

Ultrafast irreversible phototautomerization of o-nitrobenzaldehyde

scientific article published on 06 May 2011

Using G0W0 Level Alignment to Identify Catechol’s Structure on TiO2(110) ⬇️

Water effect on the excited-state decay paths of singlet excited cytosine

Wave Packet Dynamics at an Extended Seam of Conical Intersection: Mechanism of the Light-Induced Wolff Rearrangement.

scientific article

What Controls Photocatalytic Water Oxidation on Rutile TiO2(110) under Ultra-High-Vacuum Conditions?

scientific article published on 3 August 2017

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