Experimental and theoretical investigations of chromenes’ photochemistry.

M. Olivucci , Pier Luigi Gentili , Aldo Romani , Giovanna Favaro
11 -11

2003
2018
GW at the interface: CH3 OH and H2 O on TiO2 (110)

Amilcare Iacomino , Duncan J. Mowbray , Angel Rubio , Hrvoje Petek

2013
Level alignment of a prototypical photocatalytic system: methanol on TiO2(110).

Amilcare Iacomino , Duncan J. Mowbray , Angel Rubio , Hrvoje Petek
Journal of the American Chemical Society 135 ( 31) 11429 -11432

57
2013
Gold and Methane: A Noble Combination for Delicate Oxidation

Duncan J. Mowbray , Angel Rubio , David M. Cardamone , Guido Walther
Journal of Physical Chemistry Letters 4 ( 17) 3006 -3012

19
2013
Quasiparticle Interfacial Level Alignment of Highly Hybridized Frontier Levels: H2O on TiO2(110)

Duncan J. Mowbray , Hrvoje Petek , Jin Zhao , Annapaola Migani
Journal of Chemical Theory and Computation 11 ( 1) 239 -251

20
2015
Structure of the intersection space associated with Z/E photoisomerization of retinal in rhodopsin proteins

Annapaola Migani , Adalgisa Sinicropi , Nicolas Ferré , Alessandro Cembran
Faraday Discussions 127 179 -191

48
2004
What controls photocatalytic water oxidation on rutile TiO2(110) under ultra-high vacuum conditions?

Annapaola Migani , Lluís Blancafort
Journal of the American Chemical Society 139 ( 34) 11845 -11856

17
2017
Towards size-converged properties of model ceria nanoparticles: Monitoring by adsorbed CO using DFT + U approach

Annapaola Migani , Christoph Loschen , Francesc Illas , Konstantin M. Neyman
Chemical Physics Letters 465 ( 1) 106 -109

30
2008
Ultrafast irreversible phototautomerization of o-nitrobenzaldehyde

Annapaola Migani , Verónica Leyva , Ferran Feixas , Thomas Schmierer
Chemical Communications 47 ( 22) 6383 -6385

25
2011
Benign Decay vs. Photolysis in the Photophysics and Photochemistry of 5-Bromouracil. A Computational Study

Monika Kobyłecka , Annapaola Migani , David Asturiol , Janusz Rak
Journal of Physical Chemistry A 113 ( 19) 5489 -5495

17
2009
Optical Absorption Spectra and Excitons of Dye-Substrate Interfaces: Catechol on TiO2(110).

Duncan John Mowbray , Annapaola Migani
Journal of Chemical Theory and Computation 12 ( 6) 2843 -2852

34
2016
Electronic states of o-nitrobenzaldehyde: a combined experimental and theoretical study

Verónica Leyva , Inés Corral , Thomas Schmierer , Björn Heinz
Journal of Physical Chemistry A 112 ( 23) 5046 -5053

25
2008
Conical Intersections and Organic Reaction Mechanisms

Annapaola Migani , Massimo Olivucci
AdSPC 15 271 -320

49
2004
Comparing Quasiparticle H2O Level Alignment on Anatase and Rutile TiO2

Huijuan Sun , Duncan J. Mowbray , Annapaola Migani , Jin Zhao
ACS Catalysis 5 ( 7) 4242 -4254

41
2015
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

Huijing Li , Annapaola Migani , Lluís Blancafort , Quansong Li
Physical Chemistry Chemical Physics 18 ( 44) 30785 -30793

8
2016
Density functional studies of model cerium oxide nanoparticles

Christoph Loschen , Annapaola Migani , Stefan T. Bromley , Francesc Illas
Physical Chemistry Chemical Physics 10 ( 37) 5730 -5738

103
2008
A non-adiabatic quantum-classical dynamics study of the intramolecular excited state hydrogen transfer in ortho-nitrobenzaldehyde

Verónica Leyva , Inés Corral , Ferran Feixas , Annapaola Migani
Physical Chemistry Chemical Physics 13 ( 32) 14685 -14693

12
2011
Effects of deposited Pt particles on the reducibility of CeO2(111)

Albert Bruix , Annapaola Migani , Georgi N. Vayssilov , Konstantin M. Neyman
Physical Chemistry Chemical Physics 13 ( 23) 11384 -11392

59
2011
Electric field induced electron transfer at the adsorbate–surface interface. Effect of the type of metal surface

Annapaola Migani , Carmen Sousa , Fausto Sanz , Francesc Illas
Physical Chemistry Chemical Physics 7 ( 18) 3353 -3358

6
2005