Sonia Coriani

Sonia Coriani

Professor

DTU CHEMISTRY
Department of Chemistry

Kemi: Faculty

Technical University of Denmark

Kemitorvet

Building 206, room 237

2800 Kgs. Lyngby

Request a vCard via e-mail.

Publications
Projects
Activities
Courses
DTU news
Loading

Publications rss feed

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 journal: Scientific Reports (ISSN: 2045-2322) (DOI: http://dx.doi.org/10.1038/srep46617), 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 journal: Nature Communications (ISSN: 2041-1723) (DOI: http://dx.doi.org/10.1038/s41467-017-00069-7), 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 journal: Photochemical & Photobiological Sciences (ISSN: 1474-905X) (DOI: http://dx.doi.org/10.1039/c7pp00105c), 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 journal: Astronomy & Astrophysics (ISSN: 0004-6361) (DOI: http://dx.doi.org/10.1051/0004-6361/201730858), 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 journal: Physical Chemistry Chemical Physics (ISSN: 1463-9076) (DOI: http://dx.doi.org/10.1039/c5cp03919c), 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 journal: Physical Chemistry Chemical Physics (ISSN: 1463-9076) (DOI: http://dx.doi.org/10.1039/c6cp01465h), 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: Journal of Chemical Theory and Computation (ISSN: 1549-9618) (DOI: http://dx.doi.org/10.1021/acs.jctc.6b00524), 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

 

Near-Edge X-ray Absorption Fine Structure within Multilevel Coupled Cluster Theory

Myhre, Rolf H. ; Coriani, Sonia ; Koch, Henrik
in journal: Journal of Chemical Theory and Computation (ISSN: 1549-9618) (DOI: http://dx.doi.org/10.1021/acs.jctc.6b00216), vol: 12, issue: 6, pages: 2633-2643, 2016

Type: Journal article (Peer reviewed)

Status: Published     |    Year: 2016     |    DOI: http://dx.doi.org/10.1021/acs.jctc.6b00216

 

Molecular Dipole Moments within the Incremental Scheme Using the Domain-Specific Basis-Set Approach

Fiedler, Benjamin ; Coriani, Sonia ; Friedrich, Joachim
in journal: Journal of Chemical Theory and Computation (ISSN: 1549-9618) (DOI: http://dx.doi.org/10.1021/acs.jctc.6b00076), vol: 12, issue: 7, pages: 3040-3052, 2016

Type: Journal article (Peer reviewed)

Status: Published     |    Year: 2016     |    DOI: http://dx.doi.org/10.1021/acs.jctc.6b00076

  PDF

Molecular response properties in equation of motion coupled cluster theory

Coriani, Sonia ; Pawlowski, Filip ; Olsen, Jeppe ; Jørgensen, Poul
in journal: Journal of Chemical Physics (ISSN: 0021-9606) (DOI: http://dx.doi.org/10.1063/1.4939183), vol: 144, issue: 2, 2016

Type: Journal article (Peer reviewed)

Status: Published     |    Year: 2016     |    DOI: http://dx.doi.org/10.1063/1.4939183