Sonia Coriani

Sonia Coriani

Professor

DTU CHEMISTRY
Department of Chemistry

Kemi: Faculty

Technical University of Denmark

Kemitorvet

Building 206, room 237

2800 Kgs. Lyngby

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2018
 

A theoretical and experimental benchmark study of core-excited states in nitrogen

Myhre, Rolf H. ; Wolf, Thomas J. A. ; Cheng, Lan ; Nandi, Saikat ; Coriani, Sonia ; Gühr, Markus ; Koch, Henrik
in: Journal of Chemical Physics (ISSN: 0021-9606), vol: 148, issue: 6, 2018

Type: Journal article (Peer reviewed)

Status: Published     |    Year: 2018     |    DOI: http://dx.doi.org/10.1063/1.5011148

 

Modeling magnetic circular dichroism within the polarizable embedding approach

Nørby, Morten Steen ; Coriani, Sonia ; Kongsted, Jacob
in: Theoretical Chemistry Accounts (ISSN: 1432-881X), vol: 137, issue: 49, 2018

Type: Journal article (Peer reviewed)

Status: Published     |    Year: 2018     |    DOI: http://dx.doi.org/10.1007/s00214-018-2220-5

 

One-Photon Absorption Properties from a Hybrid Polarizable Density Embedding/Complex Polarization Propagator Approach for Polarizable Solutions

Hršak, Dalibor ; Nørby, Morten Steen ; Coriani, Sonia ; Kongsted, Jacob
in: Journal of Chemical Theory and Computation (ISSN: 1549-9618), vol: 14, issue: 4, pages: 2145-2154, 2018

Type: Journal article (Peer reviewed)

Status: Published     |    Year: 2018     |    DOI: http://dx.doi.org/10.1021/acs.jctc.8b00155

2017
  PDF

Relation between molecular electronic structure and nuclear spin-induced circular dichroism

Štěpánek, Petr ; Coriani, Sonia ; Sundholm, Dage ; Ovchinnikov, Vasily A. ; Vaara, Juha
in: Scientific Reports (ISSN: 2045-2322), vol: 7, 2017

Type: Journal article (Peer reviewed)

Status: Published     |    Year: 2017     |    DOI: http://dx.doi.org/10.1038/srep46617

  PDF

Probing ultrafast ππ*/nπ* internal conversion in organic chromophores via K-edge resonant absorption

Wolf, T. J. A. ; Myhre, Rolf H. ; Cryan, J. P. ; Coriani, Sonia ; Squibb, R. J. ; Battistoni, A. ; Berrah, N. ; Bostedt, C. ; Bucksbaum, P. ; Coslovich, G. ; Feifel, R. ; Gaffney, K. J. ; Grilj, J. ; Martinez, T. J. ; Miyabe, S. ; Moeller, S. P. ; Mucke, M. ; Natan, A. ; Obaid, R. ; Osipov, T. ; Plekan, O. ; Wang, S. ; Koch, H. ; Güehr, M.
in: Nature Communications (ISSN: 2041-1723), vol: 8, issue: 1, 2017

Type: Journal article (Peer reviewed)

Status: Published     |    Year: 2017     |    DOI: http://dx.doi.org/10.1038/s41467-017-00069-7

 

Optical absorption and magnetic circular dichroism spectra of thiouracils: a quantum mechanical study in solution

Martínez-Fernández , L. ; Fahleson, Tobias ; Norman, Patrick ; Santoro, Fabrizio ; Coriani, Sonia ; Improta, Roberto
in: Photochemical & Photobiological Sciences (ISSN: 1474-905X), vol: 16, issue: 9, pages: 1415-1423, 2017

Type: Journal article (Peer reviewed)

Status: Published     |    Year: 2017     |    DOI: http://dx.doi.org/10.1039/c7pp00105c

  PDF

Zeeman effect in sulfur monoxide: a tool to probe magnetic fields in star forming regions

Cazzoli, Gabriele ; Lattanzi, Valerio ; Coriani, Sonia ; Gauss, Jürgen ; Codella, Claudio ; Ramos, Andrés Asensio ; Cernicharo, José ; Puzzarini, Cristina
in: Astronomy & Astrophysics (ISSN: 0004-6361), vol: 605, 2017

Type: Journal article (Peer reviewed)

Status: Published     |    Year: 2017     |    DOI: http://dx.doi.org/10.1051/0004-6361/201730858

2016
 

Requirements of first-principles calculations of X-ray absorption spectra of liquid water

Fransson, Thomas ; Zhovtobriukh, Iurii ; Coriani, Sonia ; Wikfeldt, Kjartan T. ; Norman, Patrick ; Pettersson, Lars G M
in: Physical Chemistry Chemical Physics (ISSN: 1463-9076), vol: 18, issue: 1, pages: 566-583, 2016

Type: Journal article (Peer reviewed)

Status: Published     |    Year: 2016     |    DOI: http://dx.doi.org/10.1039/c5cp03919c

 

A complex-polarization-propagator protocol for magneto-chiral axial dichroism and birefringence dispersion

Cukras, Janusz ; Kauczor, Joanna ; Norman, Patrick ; Rizzo, Antonio ; Rikken, Geert L. J. A. ; Coriani, Sonia
in: Physical Chemistry Chemical Physics (ISSN: 1463-9076), vol: 18, pages: 13267-13279, 2016

Type: Journal article (Peer reviewed)

Status: Published     |    Year: 2016     |    DOI: http://dx.doi.org/10.1039/c6cp01465h

 

Coupled Cluster Study of Photoionization and Photodetachment Cross Sections

Cabral Tenorio, Bruno Nunes ; Chaer Nascimento, Marco Antonio ; Coriani, Sonia ; Rocha, Alexandre Braga
in: Journal of Chemical Theory and Computation (ISSN: 1549-9618), vol: 12, issue: 9, pages: 4440-4459, 2016

Type: Journal article (Peer reviewed)

Status: Published     |    Year: 2016     |    DOI: http://dx.doi.org/10.1021/acs.jctc.6b00524