Sfoglia per Autore
Tracking excited state decay mechanisms of pyrimidine nucleosides in real time
2021 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.
Tracking Conical Intersection Dynamics of Tryptophan with Sub-20-fs UV Pulses
2021 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.
Modelling quenching mechanisms of disordered molecular systems in the presence of molecular aggregates
2022 Fanciullo, Giacomo; Conti, Irene; Didier, Pascal; Klymchenko, Andrey; Léonard, Jérémie; Garavelli, Marco; Rivalta, Ivan
Environment-Driven Coherent Population Transfer Governs the Ultrafast Photophysics of Tryptophan
2022 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.
Coherent vibrational modes promote the ultrafast internal conversion and intersystem crossing in thiobases
2022 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.
The OpenMolcas Web: A Community-Driven Approach to Advancing Computational Chemistry
2023 Li Manni G.; Fdez. 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.
Engineering Azobenzene Derivatives to Control the Photoisomerization Process
2023 Aleotti F.; Petropoulos V.; Van Overeem H.; Pettini M.; Mancinelli M.; Pecorari D.; Maiuri M.; Medri R.; Mazzanti A.; Preda F.; Perri A.; Polli D.; Conti I.; Cerullo G.; Garavelli M.
The carbonyl-lock mechanism underlying non-aromatic fluorescence in biological matter
2023 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.
Modus Operandi of a Pedalo-Type Molecular Switch: Insight from Dynamics and Theoretical Spectroscopy
2023 Taddei M.; Garavelli M.; Amirjalayer S.; Conti I.; Nenov A.
Double Thionated Pyrimidine Nucleobases: Molecular Tools with Tunable Photoproperties
2023 Mohamadzade, Abed; Nenov, Artur; Garavelli, Marco; Conti, Irene; Ullrich, Susanne
Hybrid QM/MM Approach for the Calculation of Excited States in Complex Environments
2024 Avagliano, Davide; Conti, Irene; El-Tahawy, Mohsen M.T.; Jaiswal, Vishal K.; Nenov, Artur; Garavelli, Marco
Reconciling TD‐DFT and CASPT2 electronic structure methods for describing the photophysics of DNA
2024 Jaiswal, Vishal Kumar; Taddei, Mario; Nascimento, Daniel R.; Garavelli, Marco; Conti, Irene; Nenov, Artur
| Titolo | Autore(i) | Anno | Periodico | Editore | Tipo | File |
|---|---|---|---|---|---|---|
| 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 |
| 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 | - |
| 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 |
| 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 |
| 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 |
| 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 | li-manni-et-al-2023-the-openmolcas-web-a-community-driven-approach-to-advancing-computational-chemistry (2)_compressed.pdf; SI_compressed.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 |
| 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 |
| 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 |
| 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 |
| 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 |
Legenda icone
- file ad accesso aperto
- file disponibili sulla rete interna
- file disponibili agli utenti autorizzati
- file disponibili solo agli amministratori
- file sotto embargo
- nessun file disponibile