Sonia Coriani (S Coriani)

Scopus Author ID ORCID

Publication Activity (10 Years)

Years Active: 2018-2023
Publications (10 Years): 56

Top Venues

Journal of chemical theory and computation

Physical chemistry chemical physics : PCCP

The Journal of chemical physics

The journal of physical chemistry. A

DTU - Technical University of Denmark

Aarhus Universitet (PHD)

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

Affiliation History

DTU - Technical University of Denmark Feb 1o 2017

Denmark

Professor :: Department of Chemistry - DTU Kemi

Education History

Aarhus Universitet Jul 1o 1997 - Jul 31o 2000

Denmark

PHD :: Department of Chemistry

Publications

Yong Zhao, Oliver Gericke, Tuo Li, Louise Kjaerulff, Kenneth Thermann Kongstad, Allison Maree Heskes, Birger Lindberg Møller, Flemming Steen Jørgensen, Henrietta Venter, Sonia Coriani, Susan J Semple, Dan Staerk
Polypharmacology-Labeled Molecular Networking: An Analytical Technology Workflow for Accelerated Identification of Multiple Bioactive Constituents in Complex Extracts. Analytical chemistry 95 (9) (2023)
Yong Zhao, Oliver Gericke, Tuo Li, Louise Kjaerulff, Kenneth Thermann Kongstad, Allison Maree Heskes, Birger Lindberg Møller, Flemming Steen Jørgensen, Henrietta Venter, Sonia Coriani, Susan J Semple, Dan Staerk
Polypharmacology-Labeled Molecular Networking: An Analytical Technology Workflow for Accelerated Identification of Multiple Bioactive Constituents in Complex Extracts. Analytical chemistry 95 (9) (2023)
Anna Kristina Schnack-Petersen, Torsha Moitra, Sarai Dery Folkestad, Sonia Coriani
New Implementation of an Equation-of-Motion Coupled-Cluster Damped-Response Framework with Illustrative Applications to Resonant Inelastic X-ray Scattering. The journal of physical chemistry. A (2023)
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)
Anna Kristina Schnack-Petersen, Torsha Moitra, Sarai Dery Folkestad, Sonia Coriani
New Implementation of an Equation-of-Motion Coupled-Cluster Damped-Response Framework with Illustrative Applications to Resonant Inelastic X-ray Scattering. The journal of physical chemistry. A 127 (7) (2023)
Yong Zhao, Oliver Gericke, Tuo Li, Louise Kjaerulff, Kenneth Thermann Kongstad, Allison Maree Heskes, Birger Lindberg Møller, Flemming Steen Jørgensen, Henrietta Venter, Sonia Coriani, Susan J Semple, Dan Staerk
Polypharmacology-Labeled Molecular Networking: An Analytical Technology Workflow for Accelerated Identification of Multiple Bioactive Constituents in Complex Extracts. Analytical chemistry (2023)
Chao Liang, Chi Ndi, Louise Kjaerulff, Susan J Semple, Bevan Buirchell, Sonia Coriani, Birger Lindberg Møller, Dan Staerk
Characterization of Serrulatane Diterpenoids in Eremophila phyllopoda subsp. phyllopoda by Triple High-Resolution α-Glucosidase/PTP1B/Radical Scavenging Profiling, NMR Spectroscopy, DFT-GIAO NMR, and Electronic Circular Dichroism Calculations. Journal of natural products (2023)
Francesco Ferdinando Summa, Josefine H Andersen, Paolo Lazzeretti, Stephan P A Sauer, Guglielmo Monaco, Sonia Coriani, Riccardo Zanasi
Origin-Independent Dynamic Polarizability Density from Coupled Cluster Response Theory. Journal of chemical theory and computation (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 D 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)
Josefine H Andersen, Sonia Coriani, Christof Hättig
Efficient Protocol for Computing MCD Spectra in a Broad Frequency Range Combining Resonant and Damped CC2 Quadratic Response Theory. Journal of chemical theory and computation (2023)
Anna Kristina Schnack-Petersen, Mátyás Pápai, Sonia Coriani, Klaus Braagaard Møller
A theoretical study of the time-resolved x-ray absorption spectrum of the photoionized BT-1T cation. Structural dynamics (Melville, N.Y.) 10 (3) (2023)
Josefine H Andersen, Christof Hättig, Sonia Coriani, Petr Štěpánek
Insights into localization, energy ordering, and substituent effect in excited states of azobenzenes from coupled cluster calculations of nuclear spin-induced circular dichroism. Physical chemistry chemical physics : PCCP (2023)
Michael Epshtein, Bruno Nunes Cabral Tenorio, Marta L Vidal, Valeriu Scutelnic, Zheyue Yang, Tian Xue, Anna I Krylov, Sonia Coriani, Stephen R Leone
Signatures of the Bromine Atom and Open-Shell Spin Coupling in the X-ray Spectrum of the Bromobenzene Cation. Journal of the American Chemical Society (2023)
Yannick J Franzke, Christof Holzer, Josefine H Andersen, Tomislav Begušić, Florian Bruder, Sonia Coriani, Fabio Della Sala, Eduardo Fabiano, Daniil A Fedotov, Susanne Fürst, Sebastian Gillhuber, Robin Grotjahn, Martin Kaupp, Max Kehry, Marjan Krstić, Fabian Mack, Sourav Majumdar, Brian D Nguyen, Shane M Parker, Fabian Pauly, Ansgar Pausch, Eva Perlt, Gabriel S Phun, Ahmadreza Rajabi, Dmitrij Rappoport, Bibek Samal, Tim Schrader, Manas Sharma, Enrico Tapavicza, Robert S Treß, Vamsee K Voora, Artur Wodyński, Jason M Yu, Benedikt Zerulla, Filipp Furche, Christof Hättig, Marek Sierka, David P Tew, Florian Weigend
TURBOMOLE: Today and Tomorrow. Journal of chemical theory and computation (2023)
Yong Zhao, Tuo Li, Louise Kjaerulff, Henrietta Venter, Sonia Coriani, Birger Lindberg Møller, Susan J Semple, Dan Staerk
Orthogonal Reversed-Phase C 18 and Pentafluorophenyl HPLC Separation for Phytochemical Profiling of Serrulatanes in Eremophila denticulata . Journal of natural products (2023)
Michael Epshtein, Bruno Nunes Cabral Tenorio, Marta L Vidal, Valeriu Scutelnic, Zheyue Yang, Tian Xue, Anna I Krylov, Sonia Coriani, Stephen R Leone
Signatures of the Bromine Atom and Open-Shell Spin Coupling in the X-ray Spectrum of the Bromobenzene Cation. Journal of the American Chemical Society 145 (6) (2023)
Yong Zhao, Oliver Gericke, Tuo Li, Louise Kjaerulff, Kenneth Thermann Kongstad, Allison Maree Heskes, Birger Lindberg Møller, Flemming Steen Jørgensen, Henrietta Venter, Sonia Coriani, Susan J Semple, Dan Staerk
Polypharmacology-Labeled Molecular Networking: An Analytical Technology Workflow for Accelerated Identification of Multiple Bioactive Constituents in Complex Extracts. Analytical chemistry 95 (9) (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)
Josefine H Andersen, Kaushik D Nanda, Anna I Krylov, Sonia Coriani
Cherry-Picking Resolvents: Recovering the Valence Contribution in X-ray Two-Photon Absorption within the Core-Valence-Separated Equation-of-Motion Coupled-Cluster Response Theory. Journal of chemical theory and computation 18 (10) (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 Møller, 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)
Daniil A Fedotov, Mikael Scott, Maximilian Scheurer, Dirk R Rehn, Andreas Dreuw, Sonia Coriani
Magnetic circular dichroism within the algebraic diagrammatic construction scheme of the polarization propagator up to third order. The Journal of chemical physics 157 (17) (2022)
Josefine H Andersen, Kaushik D Nanda, Anna I Krylov, Sonia Coriani
Probing Molecular Chirality of Ground and Electronically Excited States in the UV-vis and X-ray Regimes: An EOM-CCSD Study. Journal of chemical theory and computation 18 (3) (2022)
Daniil A Fedotov, Alexander C Paul, Eirik F Kjønstad, Fabrizio Santoro, Sonia Coriani, Roberto Improta
Excited state absorption of DNA bases in the gas phase and in chloroform solution: a comparative quantum mechanical study. Physical chemistry chemical physics : PCCP 24 (8) (2022)
Shota Tsuru, Marta L Vidal, Mátyás Pápai, Anna I Krylov, Klaus Braagaard Møller, Sonia Coriani
An assessment of different electronic structure approaches for modeling time-resolved x-ray absorption spectroscopy. Structural dynamics (Melville, N.Y.) 8 (2) (2021)
Peter Reinholdt, Marta L Vidal, Jacob Kongsted, Marcella Iannuzzi, Sonia Coriani, Michael Odelius
Nitrogen K-Edge X-ray Absorption Spectra of Ammonium and Ammonia in Water Solution: Assessing the Performance of Polarizable Embedding Coupled Cluster Methods. The journal of physical chemistry letters 12 (36) (2021)
Daniil A Fedotov, Alexander C Paul, Paolo Posocco, Fabrizio Santoro, Marco Garavelli, Eirik F Kjønstad, Sonia Coriani, Roberto Improta
Excited-State Absorption of Uracil in the Gas Phase: Mapping the Main Decay Paths by Different Electronic Structure Methods. Journal of chemical theory and computation 17 (3) (2021)
Lúcia H Coutinho, Fabio de A Ribeiro, Bruno Nunes Cabral Tenorio, Sonia Coriani, Antonio C F Dos Santos, Christophe Nicolas, Aleksandar R Milosavljevic, John D Bozek, Wania Wolff
NEXAFS and MS-AES spectroscopy of the C 1s and Cl 2p excitation and ionization of chlorobenzene: Production of dicationic species. Physical chemistry chemical physics : PCCP (2021)
Loïc Halbert, Marta L Vidal, Avijit Shee, Sonia Coriani, André Severo Pereira Gomes
Relativistic EOM-CCSD for Core-Excited and Core-Ionized State Energies Based on the Four-Component Dirac-Coulomb(-Gaunt) Hamiltonian. Journal of chemical theory and computation 17 (6) (2021)
Torsha Moitra, Sonia Coriani, Piero Decleva
Capturing Correlation Effects on Photoionization Dynamics. Journal of chemical theory and computation 17 (8) (2021)
Thomas J A Wolf, Alexander C Paul, Sarai D Folkestad, Rolf H Myhre, James P Cryan, Nora Berrah, Phil H Bucksbaum, Sonia Coriani, Giacomo Coslovich, Raimund Feifel, Todd J Martinez, Stefan P Moeller, Melanie Mucke, Razib Obaid, Oksana Plekan, Richard J Squibb, Eirik F Kjønstad, Markus Gühr
Transient resonant Auger-Meitner spectra of photoexcited thymine. Faraday discussions 228 (0) (2021)
Valeriu Scutelnic, Shota Tsuru, Mátyás Pápai, Zheyue Yang, Michael Epshtein, Tian Xue, Eric A Haugen, Yuki Kobayashi, Anna I Krylov, Klaus Braagaard Møller, Sonia Coriani, Stephen R Leone
X-ray transient absorption reveals the 1Au (nπ*) state of pyrazine in electronic relaxation. Nature communications 12 (1) (2021)
Thomas Fransson, Iulia Emilia Brumboiu, Marta L Vidal, Patrick Norman, Sonia Coriani, Andreas Dreuw
XABOOM: An X-ray Absorption Benchmark of Organic Molecules Based on Carbon, Nitrogen, and Oxygen 1s → π* Transitions. Journal of chemical theory and computation 17 (3) (2021)
Yaojie Guo, Ling Ding, Simone Ghidinelli, Charlotte H Gotfredsen, Mercedes de la Cruz, Thomas A Mackenzie, Maria C Ramos, Pilar Sánchez, Francisca Vicente, Olga Genilloud, Sonia Coriani, René Wugt Larsen, Jens C Frisvad, Thomas Ostenfeld Larsen
Taxonomy Driven Discovery of Polyketides from Aspergillus californicus. Journal of natural products 84 (4) (2021)
Marta L Vidal, Anna I Krylov, Sonia Coriani
Correction: Dyson orbitals within the fc-CVS-EOM-CCSD framework: theory and application to X-ray photoelectron spectroscopy of ground and excited states. Physical chemistry chemical physics : PCCP 22 (6) (2020)
Marta L Vidal, Michael Epshtein, Valeriu Scutelnic, Zheyue Yang, Tian Xue, Stephen R Leone, Anna I Krylov, Sonia Coriani
Interplay of Open-Shell Spin-Coupling and Jahn-Teller Distortion in Benzene Radical Cation Probed by X-ray Spectroscopy. The journal of physical chemistry. A 124 (46) (2020)
Torsha Moitra, Aurora Ponzi, Eirik F Kjønstad, Sonia Coriani, Piero Decleva
Accurate Description of Photoionization Dynamical Parameters. The journal of physical chemistry letters 11 (13) (2020)
Simone Ghidinelli, Giovanna Longhi, Sergio Abbate, Christof Hättig, Sonia Coriani
Magnetic Circular Dichroism of Naphthalene Derivatives: A Coupled Cluster Singles and Approximate Doubles and Time-Dependent Density Functional Theory Study. The journal of physical chemistry. A 125 (1) (2020)
Jógvan Magnus Haugaard Olsen, Simen Reine, Olav Vahtras, Erik Rosendahl Kjellgren, Peter Reinholdt, Karen Oda Hjorth Dundas, Xin Li, Janusz Cukras, Magnus Ringholm, Erik Donovan Hedegård, Roberto Di Remigio, Nanna Holmgaard List, Rasmus Faber, Bruno Nunes Cabral Tenorio, Radovan Bast, Thomas Bondo Pedersen, Zilvinas Rinkevicius, Stephan P A Sauer, Kurt V Mikkelsen, Jacob Kongsted, Sonia Coriani, Kenneth Ruud, Trygve Helgaker, Hans Jørgen Aagaard Jensen, Patrick Norman
Dalton Project: A Python platform for molecular- and electronic-structure simulations of complex systems. The Journal of chemical physics 152 (21) (2020)
Michael Epshtein, Valeriu Scutelnic, Zheyue Yang, Tian Xue, Marta L Vidal, Anna I Krylov, Sonia Coriani, Stephen R Leone
Table-Top X-ray Spectroscopy of Benzene Radical Cation. The journal of physical chemistry. A 124 (46) (2020)
Tuo Li, Xue Ma, Daniil A Fedotov, Louise Kjaerulff, Karla A Frydenvang, Sonia Coriani, Paul Robert Hansen, Kenneth Thermann Kongstad, Dan Staerk
Structure Elucidation of Prenyl- and Geranyl-Substituted Coumarins in Gerbera piloselloides by NMR Spectroscopy, Electronic Circular Dichroism Calculations, and Single Crystal X-ray Crystallography. Molecules (Basel, Switzerland) 25 (7) (2020)
Marta L Vidal, Pavel Pokhilko, Anna I Krylov, Sonia Coriani
Equation-of-Motion Coupled-Cluster Theory to Model L-Edge X-ray Absorption and Photoelectron Spectra. The journal of physical chemistry letters 11 (19) (2020)
Rasmus Faber, Eirik F Kjønstad, Eirik F Kjønstad, Sonia Coriani
Spin adapted implementation of EOM-CCSD for triplet excited states: Probing intersystem crossings of acetylacetone at the carbon and oxygen K-edges. The Journal of chemical physics 151 (14) (2019)
Rolf H Myhre, Sonia Coriani, Eirik F Kjønstad
X-ray and UV Spectra of Glycine within Coupled Cluster Linear Response Theory. The journal of physical chemistry. A 123 (45) (2019)
Shota Tsuru, Marta L Vidal, Mátyás Pápai, Anna I Krylov, Klaus Braagaard Møller, Sonia Coriani
Time-resolved near-edge X-ray absorption fine structure of pyrazine from electronic structure and nuclear wave packet dynamics simulations. The Journal of chemical physics 151 (12) (2019)
Kaushik D Nanda, Marta L Vidal, Rasmus Faber, Sonia Coriani, Anna I Krylov
How to stay out of trouble in RIXS calculations within equation-of-motion coupled-cluster damped response theory? Safe hitchhiking in the excitation manifold by means of core-valence separation. Physical chemistry chemical physics : PCCP 22 (5) (2019)
Marta L Vidal, Anna I Krylov, Sonia Coriani
Dyson orbitals within the fc-CVS-EOM-CCSD framework: theory and application to X-ray photoelectron spectroscopy of ground and excited states. Physical chemistry chemical physics : PCCP 22 (5) (2019)
Marta L Vidal, Xintian Feng, Evgeny Epifanovsky, Anna I Krylov, Sonia Coriani
New and Efficient Equation-of-Motion Coupled-Cluster Framework for Core-Excited and Core-Ionized States. Journal of chemical theory and computation 15 (5) (2019)
Junzi Liu, Devin Matthews, Sonia Coriani, Lan Cheng
Benchmark Calculations of K-Edge Ionization Energies for First-Row Elements Using Scalar-Relativistic Core-Valence-Separated Equation-of-Motion Coupled-Cluster Methods. Journal of chemical theory and computation 15 (3) (2019)
Sarah Karbalaei Khani, Rasmus Faber, Fabrizio Santoro, Christof Hättig, Sonia Coriani
UV Absorption and Magnetic Circular Dichroism Spectra of Purine, Adenine, and Guanine: A Coupled Cluster Study in Vacuo and in Aqueous Solution. Journal of chemical theory and computation 15 (2) (2019)
Rasmus Faber, Sonia Coriani
Core-valence-separated coupled-cluster-singles-and-doubles complex-polarization-propagator approach to X-ray spectroscopies. Physical chemistry chemical physics : PCCP 22 (5) (2019)
Bruno Nunes Cabral Tenorio, Marco Antonio Chaer Nascimento, Alexandre Braga Rocha, Sonia Coriani
Lanczos-based equation-of-motion coupled-cluster singles-and-doubles approach to the total photoionization cross section of valence excited states. The Journal of chemical physics 151 (18) (2019)
Rasmus Faber, Sonia Coriani
Resonant Inelastic X-ray Scattering and Nonesonant X-ray Emission Spectra from Coupled-Cluster (Damped) Response Theory. Journal of chemical theory and computation 15 (1) (2018)
Rolf H Myhre, Thomas J A Wolf, Lan Cheng, Saikat Nandi, Sonia Coriani, Markus Gühr, Eirik F Kjønstad
A theoretical and experimental benchmark study of core-excited states in nitrogen. The Journal of chemical physics 148 (6) (2018)

Sonia Coriani.css-eqlu8i{font-size:small;padding-left:4px;} (S Coriani)

Publication Activity (10 Years)

Top Topics

Top Venues

Sonia Coriani (S Coriani)