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CONTI, IRENE

CONTI, IRENE  

DIPARTIMENTO DI CHIMICA INDUSTRIALE "TOSO MONTANARI"  

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Titolo Autore(i) Anno Periodico Editore Tipo File
Hybrid QM/MM Approach for the Calculation of Excited States in Complex Environments Avagliano, Davide; Conti, Irene; El-Tahawy, Mohsen M.T.; Jaiswal, Vishal K.; Nenov, Artur; Garave...lli, Marco 2024-01-01 - Elsevier 2.01 Capitolo / saggio in libro -
Reconciling TD‐DFT and CASPT2 electronic structure methods for describing the photophysics of DNA Jaiswal, Vishal Kumar; Taddei, Mario; Nascimento, Daniel R.; Garavelli, Marco; Conti, Irene; Neno...v, Artur 2024-01-01 PHOTOCHEMISTRY AND PHOTOBIOLOGY - 1.01 Articolo in rivista SupportingInfo.pdf; Accepted_Manuscript.pdf
Double Thionated Pyrimidine Nucleobases: Molecular Tools with Tunable Photoproperties Mohamadzade, Abed; Nenov, Artur; Garavelli, Marco; Conti, Irene; Ullrich, Susanne 2023-01-01 JOURNAL OF THE AMERICAN CHEMICAL SOCIETY - 1.01 Articolo in rivista mohamadzade-et-al-2023-double-thionated-pyrimidine-nucleobases-molecular-tools-with-tunable-photoproperties.pdf; ja2c12061_si_001.pdf
Engineering Azobenzene Derivatives to Control the Photoisomerization Process Aleotti F.; Petropoulos V.; Van Overeem H.; Pettini M.; Mancinelli M.; Pecorari D.; Maiuri M.; Me...dri R.; Mazzanti A.; Preda F.; Perri A.; Polli D.; Conti I.; Cerullo G.; Garavelli M. 2023-01-01 JOURNAL OF PHYSICAL CHEMISTRY. A, MOLECULES, SPECTROSCOPY, KINETICS, ENVIRONMENT, & GENERAL THEORY - 1.01 Articolo in rivista aleotti-et-al-2023-engineering-azobenzene-derivatives-to-control-the-photoisomerization-process.pdf
Modus Operandi of a Pedalo-Type Molecular Switch: Insight from Dynamics and Theoretical Spectroscopy Taddei M.; Garavelli M.; Amirjalayer S.; Conti I.; Nenov A. 2023-01-01 MOLECULES - 1.01 Articolo in rivista molecules-28-00816.pdf
The carbonyl-lock mechanism underlying non-aromatic fluorescence in biological matter Miron G.D.; Semelak J.A.; Grisanti L.; Rodriguez A.; Conti I.; Stella M.; Velusamy J.; Seriani N....; Doslic N.; Rivalta I.; Garavelli M.; Estrin D.A.; Kaminski Schierle G.S.; Gonzalez Lebrero M.C.; Hassanali A.; Morzan U.N. 2023-01-01 NATURE COMMUNICATIONS - 1.01 Articolo in rivista s41467-023-42874-3.pdf; Supplementary_information_41467_2023_42874_MOESM1_ESM_compressed.pdf
The OpenMolcas Web: A Community-Driven Approach to Advancing Computational Chemistry Li Manni G.; Fdez. Galvan I.; Alavi A.; Aleotti F.; Aquilante F.; Autschbach J.; Avagliano D.; Ba...iardi A.; Bao J.J.; Battaglia S.; Birnoschi L.; Blanco-Gonzalez A.; Bokarev S.I.; Broer R.; Cacciari R.; Calio P.B.; Carlson R.K.; Carvalho Couto R.; Cerdan L.; Chibotaru L.F.; Chilton N.F.; Church J.R.; Conti I.; Coriani S.; Cuellar-Zuquin J.; Daoud R.E.; Dattani N.; Decleva P.; de Graaf C.; Delcey M.G.; De Vico L.; Dobrautz W.; Dong S.S.; Feng R.; Ferre N.; Filatov M.; Gagliardi L.; Garavelli M.; Gonzalez L.; Guan Y.; Guo M.; Hennefarth M.R.; Hermes M.R.; Hoyer C.E.; Huix-Rotllant M.; Jaiswal V.K.; Kaiser A.; Kaliakin D.S.; Khamesian M.; King D.S.; Kochetov V.; Krosnicki M.; Kumaar A.A.; Larsson E.D.; Lehtola S.; Lepetit M.-B.; Lischka H.; Lopez Rios P.; Lundberg M.; Ma D.; Mai S.; Marquetand P.; Merritt I.C.D.; Montorsi F.; Morchen M.; Nenov A.; Nguyen V.H.A.; Nishimoto Y.; Oakley M.S.; Olivucci M.; Oppel M.; Padula D.; Pandharkar R.; Phung Q.M.; Plasser F.; Raggi G.; Rebolini E.; Reiher M.; Rivalta I.; Roca-Sanjuan D.; Romig T.; Safari A.A.; Sanchez-Mansilla A.; Sand A.M.; Schapiro I.; Scott T.R.; Segarra-Marti J.; Segatta F.; Sergentu D.-C.; Sharma P.; Shepard R.; Shu Y.; Staab J.K.; Straatsma T.P.; Sorensen L.K.; Tenorio B.N.C.; Truhlar D.G.; Ungur L.; Vacher M.; Veryazov V.; Voss T.A.; Weser O.; Wu D.; Yang X.; Yarkony D.; Zhou C.; Zobel J.P.; Lindh R. 2023-01-01 JOURNAL OF CHEMICAL THEORY AND COMPUTATION - 1.01 Articolo in rivista SI_compressed.pdf; NENOV_li-manni-et-al-2023-the-openmolcas-web-a-community-driven-approach-to-advancing-computational-chemistry (9).pdf
Coherent vibrational modes promote the ultrafast internal conversion and intersystem crossing in thiobases Teles-Ferreira D.C.; van Stokkum I.H.; Conti I.; Ganzer L.; Manzoni C.; Garavelli M.; Cerullo G.;... Nenov A.; Borrego-Varillas R.; de Paula A.M. 2022-01-01 PHYSICAL CHEMISTRY CHEMICAL PHYSICS - 1.01 Articolo in rivista Draft-Chemical Science_20220425-FinalVersion-clean.pdf
Environment-Driven Coherent Population Transfer Governs the Ultrafast Photophysics of Tryptophan Jaiswal V.K.; Kabacinski P.; Nogueira De Faria B.E.; Gentile M.; De Paula A.M.; Borrego-Varillas ...R.; Nenov A.; Conti I.; Cerullo G.; Garavelli M. 2022-01-01 JOURNAL OF THE AMERICAN CHEMICAL SOCIETY - 1.01 Articolo in rivista jacs.2c04565.pdf
Modelling quenching mechanisms of disordered molecular systems in the presence of molecular aggregates Fanciullo, Giacomo; Conti, Irene; Didier, Pascal; Klymchenko, Andrey; Léonard, Jérémie; Garavelli..., Marco; Rivalta, Ivan 2022-01-01 PHYSICAL CHEMISTRY CHEMICAL PHYSICS - 1.01 Articolo in rivista MQ-EAA.pdf
Conical Intersection Passages of Molecules Probed by X-ray Diffraction and Stimulated Raman Spectroscopy Nam Y.; Keefer D.; Nenov A.; Conti I.; Aleotti F.; Segatta F.; Lee J.Y.; Garavelli M.; Mukamel S. 2021-01-01 THE JOURNAL OF PHYSICAL CHEMISTRY LETTERS - 1.01 Articolo in rivista JPCL_MainText.pdf; JPCL_SuppInfo.pdf
Excited State Decay Pathways of Epigenetic DNA Nucleosides Tracked with Sub-20-fs UV Pulses Piotr Kabacinski, Marco Romanelli, Eveliina Ponkkonen, Irene Conti, Thomas Carell, Marco Garavell...i, and Giulio Cerullo 2021-01-01 - - 4.01 Contributo in Atti di convegno -
Photo-Active Biological Molecular Materials: From Photoinduced Dynamics to Transient Electronic Spectroscopies Conti I.; Bonfanti M.; Nenov A.; Rivalta I.; Garavelli M. 2021-01-01 - Springer Science and Business Media B.V. 2.01 Capitolo / saggio in libro -
Tailored Coumarin Dyes for Photoredox Catalysis: Calculation, Synthesis, and Electronic Properties Gualandi A.; Nenov A.; Marchini M.; Rodeghiero G.; Conti I.; Paltanin E.; Balletti M.; Ceroni P.;... Garavelli M.; Cozzi P.G. 2021-01-01 CHEMCATCHEM - 1.01 Articolo in rivista ChemCatChem_IRIS.pdf; cctc202001690-sup-0001-misc_information.pdf
Tracking Conical Intersection Dynamics of Tryptophan with Sub-20-fs UV Pulses Kabacinski P.; Jaiswal V.K.; Borrego-Varillas R.; Nogueira De Faria B.E.; Gentile M.G.; Conti I.;... De Silvestri S.; Garavelli M.; De Paula A.M.; Cerullo G. 2021-01-01 - Institute of Electrical and Electronics Engineers Inc. 4.01 Contributo in Atti di convegno -
Tracking conical intersection dynamics of tryptophan with sub-20-fs UV pulses Kabacinski P.; Jaiswal V.K.; Borrego-Varillas R.; Nogueira de Faria B.E.; Gentile M.G.; Conti I.;... de Silvestri S.; Garavelli M.; de Paula A.M.; Cerullo G. 2021-01-01 - The Optical Society 4.01 Contributo in Atti di convegno -
Tracking excited state decay mechanisms of pyrimidine nucleosides in real time Borrego-Varillas R.; Nenov A.; Kabacinski P.; Conti I.; Ganzer L.; Oriana A.; Jaiswal V.K.; Delfi...no I.; Weingart O.; Manzoni C.; Rivalta I.; Garavelli M.; Cerullo G. 2021-01-01 NATURE COMMUNICATIONS - 1.01 Articolo in rivista NatureComm2021.pdf; SupplementaryInformation.pdf
Unified Description of Ultrafast Excited State Decay Processes in Epigenetic Deoxycytidine Derivatives Kabaciński, Piotr; Romanelli, Marco; Ponkkonen, Eveliina; Jaiswal, Vishal Kumar; Carell, Thomas; ...Garavelli, Marco; Cerullo, Giulio; Conti, Irene 2021-01-01 THE JOURNAL OF PHYSICAL CHEMISTRY LETTERS - 1.01 Articolo in rivista jz1c02909_SI.pdf; Conti_acs.jpclett.1c02909.pdf
A Unified Experimental/Theoretical Description of the Ultrafast Photophysics of Single and Double Thionated Uracils Teles-Ferreira D.C.; Conti I.; Borrego-Varillas R.; Nenov A.; Van Stokkum I.H.M.; Ganzer L.; Manz...oni C.; de Paula A.M.; Cerullo G.; Garavelli M. 2020-01-01 CHEMISTRY-A EUROPEAN JOURNAL - 1.01 Articolo in rivista Conti_Garavelli_postprint_2020 (1).pdf; Supplementare_Conti_chem201904541-sup-0001-misc_information.pdf
Modern quantum chemistry with [open]molcas Aquilante F.; Autschbach J.; Baiardi A.; Battaglia S.; Borin V.A.; Chibotaru L.F.; Conti I.; De V...ico L.; Delcey M.; Galvan I.F.; Ferre N.; Freitag L.; Garavelli M.; Gong X.; Knecht S.; Larsson E.D.; Lindh R.; Lundberg M.; Malmqvist P.A.; Nenov A.; Norell J.; Odelius M.; Olivucci M.; Pedersen T.B.; Pedraza-Gonzalez L.; Phung Q.M.; Pierloot K.; Reiher M.; Schapiro I.; Segarra-Marti J.; Segatta F.; Seijo L.; Sen S.; Sergentu D.-C.; Stein C.J.; Ungur L.; Vacher M.; Valentini A.; Veryazov V. 2020-01-01 THE JOURNAL OF CHEMICAL PHYSICS - 1.01 Articolo in rivista Quantum_chemistry_Garavelli_compressed.pdf