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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
Is DFT enough? Towards Accurate High-Throughput Computational Screening of Azobenzenes for Molecular Solar Thermal Applications Aleotti, Flavia; Soprani, Lorenzo; Rodríguez-Almeida, Lucas F.; Calcagno, Francesco; Loprete, Fab...io; Rivalta, Ivan; Orlandi, Silvia; Canè, Elisabetta; Garavelli, Marco; Conti, Irene; Muccioli, Luca 9999-01-01 MOLECULAR SYSTEMS DESIGN & ENGINEERING - 1.01 Articolo in rivista D4ME00183D.pdf; SI_AZO_MOST.pdf
Catching ultrafast photo-processes in the act: the virtual time-resolved spectrometer Conti, Irene; Mohamadzade, Abed; Nenov, Artur; Jaiswal, VISHAL KUMAR; Garavelli, Marco; Ullrich, ...Susan 2024-01-01 - - 4.01 Contributo in Atti di convegno -
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
Ultrafast photochemistry and electron-diffraction spectra in n → (3s) Rydberg excited cyclobutanone resolved at the multireference perturbative level Jaiswal, V. K.; Montorsi, F.; Aleotti, F.; Segatta, F.; Keefer, Daniel; Mukamel, Shaul; Nenov, A....; Conti, I.; Garavelli, M. 2024-01-01 THE JOURNAL OF CHEMICAL PHYSICS - 1.01 Articolo in rivista cyclobutanone.pdf; SI_Revised_MG.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.; S...eriani, 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.; Fde, z. Galvan I.; Alavi, A.; Aleotti, F.; Aquilante, F.; Autschbach, J.; Avagliano..., D.; Baiardi, 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; NENOV_compressed_li-manni-et-al-2023-the-openmolcas-web-a-community-driven-approach-to-advancing-computational-chemistry (9)_compressed.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-V...arillas, 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; ja2c04565_si_001.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.; M...ukamel, 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 Kabacinski, Piotr; Romanelli, Marco; Ponkkonen, Eveliina; Conti, Irene; Carell, Thomas; Garavelli..., Marco; Giulio Cerullo, And 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 - The Optical Society 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 - Institute of Electrical and Electronics Engineers Inc. 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....; Delfino, 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