NENOV, ARTUR

NENOV, ARTUR  

DIPARTIMENTO DI CHIMICA INDUSTRIALE "TOSO MONTANARI"  

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Risultati 1 - 20 di 86 (tempo di esecuzione: 0.081 secondi).
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.pdfAccepted_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.pdfja2c12061_si_001.pdf
Electron and ion spectroscopy of Azobenzene in the valence and core shells Carlini, Laura; Montorsi, Francesco; Wu, Yingxuan; Bolognesi, Paola; Borrego-Varillas, Rocio; Cas...avola, Anna Rita; Castrovilli, Mattea Carmen; Chiarinelli, Jacopo; mocci, daniele; Vismarra, Federico; Lucchini, Matteo; Nisoli, Mauro; Mukamel, Shaul; Garavelli, Marco; Richter, Robert; Nenov, Artur; Avaldi, Lorenzo 2023-01-01 THE JOURNAL OF CHEMICAL PHYSICS - 1.01 Articolo in rivista Carlini_et_al_draft_clean.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
Nonlinear Molecular Electronic Spectroscopy via MCTDH Quantum Dynamics: From Exact to Approximate Expressions Segatta F.; Ruiz D.A.; Aleotti F.; Yaghoubi M.; Mukamel S.; Garavelli M.; Santoro F.; Nenov A. 2023-01-01 JOURNAL OF CHEMICAL THEORY AND COMPUTATION - 1.01 Articolo in rivista acs.jctc.2c01059.pdfct2c01059_si_001.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.pdfNENOV_li-manni-et-al-2023-the-openmolcas-web-a-community-driven-approach-to-advancing-computational-chemistry (9).pdf
Time-Resolved X-ray Absorption Spectroscopy: An MCTDH Quantum Dynamics Protocol Segatta F.; Aranda D.; Aleotti F.; Montorsi F.; Mukamel S.; Garavelli M.; Santoro F.; Nenov A. 2023-01-01 JOURNAL OF CHEMICAL THEORY AND COMPUTATION - 1.01 Articolo in rivista segatta-et-al-2023-time-resolved-x-ray-absorption-spectroscopy-an-mctdh-quantum-dynamics-protocol.pdf
Automatized protocol and interface to simulate QM/MM time-resolved transient absorption at TD-DFT level with COBRAMM Avagliano D.; Bonfanti M.; Nenov A.; Garavelli M. 2022-01-01 JOURNAL OF COMPUTATIONAL CHEMISTRY - 1.01 Articolo in rivista J Comput Chem - 2022 - Avagliano - Automatized protocol and interface to simulate QM MM timeâ resolved transient absorption.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
Coupled Electronic and Nuclear Motions during Azobenzene Photoisomerization Monitored by Ultrafast Electron Diffraction Rouxel J.R.; Keefer D.; Aleotti F.; Nenov A.; Garavelli M.; Mukamel S. 2022-01-01 JOURNAL OF CHEMICAL THEORY AND COMPUTATION - 1.01 Articolo in rivista JCTC_UED_0301.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
Soft X-ray Spectroscopy Simulations with Multiconfigurational Wave Function Theory: Spectrum Completeness, Sub-eV Accuracy, and Quantitative Reproduction of Line Shapes Montorsi, Francesco; Segatta, Francesco; Nenov, Artur; Mukamel, Shaul; Garavelli, Marco 2022-01-01 JOURNAL OF CHEMICAL THEORY AND COMPUTATION - 1.01 Articolo in rivista -
Soft X-ray Spectroscopy Simulations with Multiconfigurational Wave Function Theory: Spectrum Completeness, Sub-eV Accuracy, and Quantitative Reproduction of Line Shapes Montorsi F.; Segatta F.; Nenov A.; Mukamel S.; Garavelli M. 2022-01-01 JOURNAL OF CHEMICAL THEORY AND COMPUTATION - 1.01 Articolo in rivista Segatta_22_JCTC_NEXAFS_with_RASPT2.pdfSegatta_22_JCTC_NEXAFS_with_RASPT2_SI.pdf
Time-Resolved Optical Pump-Resonant X-ray Probe Spectroscopy of 4-Thiouracil: A Simulation Study Nam Y.; Montorsi F.; Keefer D.; Cavaletto S.M.; Lee J.Y.; Nenov A.; Garavelli M.; Mukamel S. 2022-01-01 JOURNAL OF CHEMICAL THEORY AND COMPUTATION - 1.01 Articolo in rivista 4TU_Resonant_signal-1.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.pdfJPCL_SuppInfo.pdf
Imaging conical intersection dynamics during azobenzene photoisomerization by ultrafast X-ray diffraction Keefer, Daniel; Aleotti, Flavia; Rouxel, Jérémy R; Segatta, Francesco; Gu, Bing; Nenov, Artur; Ga...ravelli, Marco; Mukamel, Shaul 2021-01-01 PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA - 1.01 Articolo in rivista Mukamel_21_PNAS_Azobenzene_X-ray_diffraction.pdf
In Silico Ultrafast Nonlinear Spectroscopy Meets Experiments: The Case of Perylene Bisimide Dye Segatta F.; Russo M.; Nascimento D.R.; Presti D.; Rigodanza F.; Nenov A.; Bonvicini A.; Arcioni A....; Mukamel S.; Maiuri M.; Muccioli L.; Govind N.; Cerullo G.; Garavelli M. 2021-01-01 JOURNAL OF CHEMICAL THEORY AND COMPUTATION - 1.01 Articolo in rivista 92_PBI.pdfsi_92_PBI.pdf
iSPECTRON: A simulation interface for linear and nonlinear spectra with ab-initio quantum chemistry software Segatta F.; Nenov A.; Nascimento D.R.; Govind N.; Mukamel S.; Garavelli M. 2021-01-01 JOURNAL OF COMPUTATIONAL CHEMISTRY - 1.01 Articolo in rivista iSPECTRON.pdf
Manipulating Core Excitations in Molecules by X-Ray Cavities Gu B.; Nenov A.; Segatta F.; Garavelli M.; Mukamel S. 2021-01-01 PHYSICAL REVIEW LETTERS - 1.01 Articolo in rivista PRLett_accepted_Garavelli.pdf