Sfoglia per Autore
Probing deactivation pathways of DNA nucleobases by two-dimensional electronic spectroscopy: first principles simulations
2015 Nenov, Artur; Segarra-Martí, Javier; Giussani, Angelo; Conti, Irene; Rivalta, Ivan; Dumont, Elise; Jaiswal, Vishal K.; Altavilla, Salvatore Flavio; Mukamel, Shaul; Garavelli, Marco
Modeling the high-energy electronic state manifold of adenine: Calibration for nonlinear electronic spectroscopy
2015 Nenov, A.; Giussani, A.; Segarra-Marti, J.; Jaiswal, V.K.; Rivalta, I.; Cerullo, G.; Mukamel, S.; Garavelli, M.
Two-dimensional electronic spectroscopy as a tool for tracking molecular conformations in DNA/RNA aggregates
2018 Segarra-Marti Javier, Jaiswal Vishal K., Pepino Ana Julieta, Giussani Angelo, Nenov Artur, Mukamel Shaul, Garavelli Marco, Rivalta Ivan
First-principles characterization of the singlet excited state manifold in DNA/RNA nucleobases
2020 Jaiswal V.K.; Segarra-Marti J.; Marazzi M.; Zvereva E.; Assfeld X.; Monari A.; Garavelli M.; Rivalta I.
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.
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.
Unified Description of Ultrafast Excited State Decay Processes in Epigenetic Deoxycytidine Derivatives
2021 Kabaciński, Piotr; Romanelli, Marco; Ponkkonen, Eveliina; Jaiswal, Vishal Kumar; Carell, Thomas; Garavelli, Marco; Cerullo, Giulio; Conti, Irene
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.
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.
Hybrid QM/MM Approach for the Calculation of Excited States in Complex Environments
2023 Avagliano, Davide; Conti, Irene; El-Tahawy, Mohsen M.T.; Jaiswal, Vishal K.; Nenov, Artur; Garavelli, Marco
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.
| Titolo | Autore(i) | Anno | Periodico | Editore | Tipo | File |
|---|---|---|---|---|---|---|
| Probing deactivation pathways of DNA nucleobases by two-dimensional electronic spectroscopy: first principles simulations | Nenov, Artur; Segarra-Martí, Javier; Giussani, Angelo; Conti, Irene; Rivalta, Ivan; Dumont, Elise...; Jaiswal, Vishal K.; Altavilla, Salvatore Flavio; Mukamel, Shaul; Garavelli, Marco | 2015-01-01 | FARADAY DISCUSSIONS | - | 1.01 Articolo in rivista | - |
| Modeling the high-energy electronic state manifold of adenine: Calibration for nonlinear electronic spectroscopy | Nenov, A.; Giussani, A.; Segarra-Marti, J.; Jaiswal, V.K.; Rivalta, I.; Cerullo, G.; Mukamel, S.;... Garavelli, M. | 2015-01-01 | THE JOURNAL OF CHEMICAL PHYSICS | - | 1.01 Articolo in rivista | - |
| Two-dimensional electronic spectroscopy as a tool for tracking molecular conformations in DNA/RNA aggregates | Segarra-Marti Javier, Jaiswal Vishal K., Pepino Ana Julieta, Giussani Angelo, Nenov Artur, Mukame...l Shaul, Garavelli Marco, Rivalta Ivan | 2018-01-01 | FARADAY DISCUSSIONS | - | 1.01 Articolo in rivista | - |
| First-principles characterization of the singlet excited state manifold in DNA/RNA nucleobases | Jaiswal V.K.; Segarra-Marti J.; Marazzi M.; Zvereva E.; Assfeld X.; Monari A.; Garavelli M.; Riva...lta I. | 2020-01-01 | PHYSICAL CHEMISTRY CHEMICAL PHYSICS | - | 1.01 Articolo in rivista | DNA_ESA_SI_highlighted.docx; Garavelli_AM.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 | - |
| 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 |
| 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 |
| 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 |
| 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 | 2023-01-01 | - | Elsevier | 2.01 Capitolo / saggio in libro | - |
| 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 |
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