Piero Decleva (P Decleva)

Publication Activity (10 Years)

Years Active: 2018-2023
Publications (10 Years): 29

Top Topics

Density Functional Theory

Electron Transfer

Single Molecule

Top Venues

Physical chemistry chemical physics : PCCP

The journal of physical chemistry letters

The Journal of chemical physics

Journal of chemical theory and computation

This page only lists publications with an associated author ORCID identifier.

Publications

Jacob Pedersen, Piero Decleva, Sonia Coriani, Bruno Nunes Cabral Tenorio
Description of the KLL Auger-Meitner decay spectra of argon following primary and satellite core-ionized states. The Journal of chemical physics 159 (2) (2023)
Giovanni Li Manni, Ignacio Fdez Galván, Ali Alavi, Flavia Aleotti, Francesco Aquilante, Jochen Autschbach, Davide Avagliano, Alberto Baiardi, Jie J Bao, Stefano Battaglia, Letitia Birnoschi, Alejandro Blanco-González, Sergey I Bokarev, Ria Broer, Roberto Cacciari, Paul B Calio, Rebecca K Carlson, Rafael C Couto, Luis Cerdán, Liviu F Chibotaru, Nicholas F Chilton, Jonathan Richard Church, Irene Conti, Sonia Coriani, Juliana Cuéllar-Zuquin, Razan E Daoud, Nike Dattani, Piero Decleva, Coen de Graaf, Mickaël G Delcey, Luca De Vico, Werner Dobrautz, Sijia S Dong, Rulin Feng, Nicolas Ferré, Michael Filatov Gulak, Soumen Ghosh, Marco Garavelli, Leticia González, Yafu Guan, Meiyuan Guo, Matthew R Hennefarth, Matthew R Hermes, Chad E Hoyer, Miquel Huix-Rotllant, Vishal Kumar Jaiswal, Andy Kaiser, Danil S Kaliakin, Marjan Khamesian, Daniel S King, Vladislav Kochetov, Marek Krośnicki, Arpit Arun Kumaar, Ernst Dennis Larsson, Susi Lehtola, Marie-Bernadette Lepetit, Hans Lischka, Pablo López Ríos, Marcus Lundberg, Dongxia Ma, Sebastian Mai, Philipp Marquetand, Isabella C D Merritt, Francesco Montorsi, Maximilian Mörchen, Artur Nenov, Vu Ha Anh Nguyen, Yoshio Nishimoto, Meagan S Oakley, Massimo Olivucci, Markus Oppel, Daniele Padula, Riddhish Pandharkar, Quan Manh Phung, Felix Plasser, Gerardo Raggi, Elisa Rebolini, Markus Reiher, Ivan Rivalta, Daniel Roca-Sanjuán, Thies Romig, Arta Anushirwan Safari, Aitor Sánchez-Mansilla, Andrew M Sand, Igor Schapiro, Thais R Scott, Javier Segarra-Marti, Francesco Segatta, Dumitru-Claudiu Sergentu, Prachi Sharma, Ron Shepard, Yinan Shu, Jakob K Staab, Tjerk P Straatsma, Lasse Kragh Sørensen, Bruno Nunes Cabral Tenorio, Donald G Truhlar, Liviu Ungur, Morgane Vacher, Valera Veryazov, Torben Arne Voß, Oskar Weser, Dihua Wu, Xuchun Yang, David R Yarkony, Chen Zhou, J Patrick Zobel, Roland Lindh
The OpenMolcas Web : A Community-Driven Approach to Advancing Computational Chemistry. Journal of chemical theory and computation (2023)
Bruno Nunes Cabral Tenorio, Jacob Pedersen, Mario Barbatti, Piero Decleva, Sonia Coriani
Auger-Meitner and X-ray Absorption Spectra of Ethylene Cation: Insight into Conical Intersection Dynamics. The journal of physical chemistry. A (2023)
Bruno Nunes Cabral Tenorio, Jacob Pedersen, Mario Barbatti, Piero Decleva, Sonia Coriani
Auger-Meitner and X-ray Absorption Spectra of Ethylene Cation: Insight into Conical Intersection Dynamics. The journal of physical chemistry. A 128 (1) (2023)
Bruno Nunes Cabral Tenorio, Aurora Ponzi, Sonia Coriani, Piero Decleva
Photoionization Observables from Multi-Reference Dyson Orbitals Coupled to B-Spline DFT and TD-DFT Continuum. Molecules (Basel, Switzerland) 27 (4) (2022)
Torsha Moitra, Alexander C Paul, Piero Decleva, Eirik F Kjønstad, Sonia Coriani
Multi-electron excitation contributions towards primary and satellite states in the photoelectron spectrum. Physical chemistry chemical physics : PCCP 24 (14) (2022)
Danielle Dowek, Piero Decleva
Trends in angle-resolved molecular photoelectron spectroscopy. Physical chemistry chemical physics : PCCP 24 (40) (2022)
Piero Decleva, Mauro Stener, Daniele Toffoli
Continuum Electronic States: The Tiresia Code. Molecules (Basel, Switzerland) 27 (6) (2022)
Daniele Catone, N Zema, T Prosperi, Mauro Stener, Piero Decleva, Patrizia Nitti, Stefano Turchini
PECD study of a single-conformer molecule: a critical comparison of experiment and theory. Physical chemistry chemical physics : PCCP 24 (7) (2022)
Lazaros Varvarezos, J Delgado-Guerrero, M Di Fraia, T J Kelly, A Palacios, Carlo Callegari, A L Cavalieri, R Coffee, M Danailov, Piero Decleva, A Demidovich, L DiMauro, S Düsterer, L Giannessi, W Helml, Markus Ilchen, R Kienberger, T Mazza, M Meyer, R Moshammer, C Pedersini, Oksana Plekan, Kevin Charles Prince, A Simoncig, A Schletter, K Ueda, M Wurzer, M Zangrando, Fernando Martin, J T Costello
Controlling Fragmentation of the Acetylene Cation in the Vacuum Ultraviolet via Transient Molecular Alignment. The journal of physical chemistry letters 14 (1) (2022)
Bruno Nunes Cabral Tenorio, Torben Arne Voß, Sergey I Bokarev, Piero Decleva, Sonia Coriani
Multireference Approach to Normal and Resonant Auger Spectra Based on the One-Center Approximation. Journal of chemical theory and computation 18 (7) (2022)
Anna Kristina Schnack-Petersen, Bruno Nunes Cabral Tenorio, Sonia Coriani, Piero Decleva, Jan Troß, Krupa Ramasesha, Marcello Coreno, Roberta Totani, Anja Röder
Core spectroscopy of oxazole. The Journal of chemical physics 157 (21) (2022)
Bruno Nunes Cabral Tenorio, Klaus Braagaard Mo Ller, Piero Decleva, Sonia Coriani
Disentangling the resonant Auger spectra of ozone: overlapping core-hole states and core-excited state dynamics. Physical chemistry chemical physics : PCCP 24 (46) (2022)
Oksana Travnikova, Tomislav Piteša, Aurora Ponzi, Marin Sapunar, Richard James Squibb, Robert Richter, Paola Finetti, Michele Di Fraia, Alberto De Fanis, Nicola Mahne, Michele Manfredda, Vitali Zhaunerchyk, Tatiana Marchenko, Renaud Guillemin, Loic Journel, Kevin Charles Prince, Carlo Callegari, Marc Simon, Raimund Feifel, Piero Decleva, Nadja Došlić, Maria Novella Piancastelli
Photochemical Ring-Opening Reaction of 1,3-Cyclohexadiene: Identifying the True Reactive State. Journal of the American Chemical Society 144 (48) (2022)
Lazaros Varvarezos, J Delgado-Guerrero, M Di Fraia, T J Kelly, A Palacios, Carlo Callegari, A L Cavalieri, R Coffee, M Danailov, Piero Decleva, A Demidovich, L DiMauro, S Düsterer, L Giannessi, W Helml, Markus Ilchen, R Kienberger, T Mazza, M Meyer, R Moshammer, C Pedersini, Oksana Plekan, Kevin Charles Prince, A Simoncig, A Schletter, K Ueda, M Wurzer, M Zangrando, Fernando Martin, J T Costello
Controlling Fragmentation of the Acetylene Cation in the Vacuum Ultraviolet via Transient Molecular Alignment. The journal of physical chemistry letters 14 (1) (2022)
Celso M González-Collado, Etienne Plésiat, Piero Decleva, Alicia Palacios, Fernando Martin
Vibrationally resolved photoelectron angular distributions of ammonia. Physical chemistry chemical physics : PCCP 24 (13) (2022)
Takahiro Teramoto, S Minemoto, Takuya Majima, Tomoya Mizuno, J H Mun, A Yagishita, Piero Decleva, Shota Tsuru
Basic studies toward ultrafast soft x-ray photoelectron diffraction; its application to probing local structure in iodobenzene molecules. Structural dynamics (Melville, N.Y.) 9 (2) (2022)
Aurora Ponzi, Marin Sapunar, Nadja Došlić, Piero Decleva
Discrimination of Excited States of Acetylacetone through Theoretical Molecular-Frame Photoelectron Angular Distributions. Molecules (Basel, Switzerland) 27 (6) (2022)
Lazaros Varvarezos, J Delgado-Guerrero, M Di Fraia, T J Kelly, A Palacios, Carlo Callegari, A L Cavalieri, R Coffee, M Danailov, Piero Decleva, A Demidovich, L DiMauro, S Düsterer, L Giannessi, W Helml, Markus Ilchen, R Kienberger, T Mazza, M Meyer, R Moshammer, C Pedersini, Oksana Plekan, Kevin Charles Prince, A Simoncig, A Schletter, K Ueda, M Wurzer, M Zangrando, Fernando Martin, J T Costello
Controlling Fragmentation of the Acetylene Cation in the Vacuum Ultraviolet via Transient Molecular Alignment. The journal of physical chemistry letters 14 (1) (2022)
Lazaros Varvarezos, J Delgado-Guerrero, M Di Fraia, T J Kelly, A Palacios, Carlo Callegari, A L Cavalieri, R Coffee, M Danailov, Piero Decleva, A Demidovich, L DiMauro, S Düsterer, L Giannessi, W Helml, Markus Ilchen, R Kienberger, T Mazza, M Meyer, R Moshammer, C Pedersini, Oksana Plekan, Kevin Charles Prince, A Simoncig, A Schletter, K Ueda, M Wurzer, M Zangrando, Fernando Martin, J T Costello
Controlling Fragmentation of the Acetylene Cation in the Vacuum Ultraviolet via Transient Molecular Alignment. The journal of physical chemistry letters (2022)
Benoît Darquié, Nidal Saleh, Sean K Tokunaga, Monika Srebro-Hooper, Aurora Ponzi, Jochen Autschbach, Piero Decleva, Gustavo A García, Jeanne Crassous, Laurent Nahon
Valence-shell photoelectron circular dichroism of ruthenium(III)-tris-(acetylacetonato) gas-phase enantiomers. Physical chemistry chemical physics : PCCP 23 (42) (2021)
Torsha Moitra, Sonia Coriani, Piero Decleva
Capturing Correlation Effects on Photoionization Dynamics. Journal of chemical theory and computation 17 (8) (2021)
David Ayuso, Andres F Ordonez, Piero Decleva, Mikhail Y Ivanov, Olga Smirnova
Enantio-sensitive unidirectional light bending. Nature communications 12 (1) (2021)
Jorge Delgado, Manuel Lara-Astiaso, Jesús González-Vázquez, Piero Decleva, Alicia Palacios, Fernando Martin
Molecular fragmentation as a way to reveal early electron dynamics induced by attosecond pulses. Faraday discussions 228 (0) (2021)
Tomislav Piteša, Marin Sapunar, Aurora Ponzi, Maxim F Gelin, Nadja Došlić, Wolfgang Domcke, Piero Decleva
Combined Surface-Hopping, Dyson Orbital, and B-Spline Approach for the Computation of Time-Resolved Photoelectron Spectroscopy Signals: The Internal Conversion in Pyrazine. Journal of chemical theory and computation 17 (8) (2021)
Saikat Nandi, E Plésiat, S Zhong, Alicia Palacios, David Busto, M Isinger, Lana Neoričić, Cord L Arnold, R J Squibb, R Feifel, Piero Decleva, Anne L'Huillier, F Martín, Mathieu Gisselbrecht
Attosecond timing of electron emission from a molecular shape resonance. Science advances 6 (31) (2020)
Hironobu Fukuzawa, Syuhei Yamada, Yuta Sakakibara, Tetsuya Tachibana, Yuta Ito, Tsukasa Takanashi, Toshiyuki Nishiyama, Tsukasa Sakai, Kiyonobu Nagaya, Norio Saito, Masaki Oura, Mauro Stener, Piero Decleva, Kiyoshi Ueda
Probing gaseous molecular structure by molecular-frame photoelectron angular distributions. The Journal of chemical physics 151 (10) (2019)
Shota Tsuru, Takashi Fujikawa, Mauro Stener, Piero Decleva, Akira Yagishita
Theoretical study of ultrafast x-ray photoelectron diffraction from molecules undergoing photodissociation. The Journal of chemical physics 148 (12) (2018)
R J Squibb, Marin Sapunar, A Ponzi, R Richter, Antti Kivimäki, O Plekan, P Finetti, N Sisourat, V Zhaunerchyk, T Marchenko, L Journel, R Guillemin, R Cucini, Marcello Coreno, Cesare Grazioli, M Di Fraia, Carlo Callegari, Kevin Charles Prince, Piero Decleva, M Simon, J H D Eland, N Došlić, R Feifel, M N Piancastelli
Acetylacetone photodynamics at a seeded free-electron laser. Nature communications 9 (1) (2018)