Sonia Coriani

Sonia Coriani

Professor

DTU KEMI
Institut for Kemi

Kemi: Faculty

Danmarks Tekniske Universitet

Kemitorvet

Bygning 206, rum 237

2800 Kgs. Lyngby

Hjemmeside

Få tilsendt vCard på e-mail.

Publikationer
Projekter
Aktiviteter
Kurser
DTU nyheder
Loading

Publikationer rss feed

2019
 

Resonant Inelastic X-ray Scattering and Nonesonant X-ray Emission Spectra from Coupled-Cluster (Damped) Response Theory

Faber, Rasmus ; Coriani, Sonia
in: Journal of Chemical Theory and Computation, vol: 15, issue: 1, pages: 520-528

Type: Journal article (Peer reviewed)

Status: Published     |    År: 2019     |    DOI: https://doi.org/10.1021/acs.jctc.8b01020

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, vol: 148, issue: 6

Type: Journal article (Peer reviewed)

Status: Published     |    År: 2018     |    DOI: https://doi.org/10.1063/1.5011148

  PDF

Developing theoretical beamlines for local, ultrafast and magnetic-field induced spectroscopic effects

Coriani, Sonia ; Lopez Vidal, Marta ; Faber, Rasmus
Presented at:
16th International Congress of Quantum Chemistry

Type: Conference abstract for conference (Peer reviewed)

Status: Published     |    År: 2018

 

Investigations of natural and magnetically induced chirality via response theory methods

Coriani, Sonia
in: Abstracts of Papers of the American Chemical Society, vol: 255

Type: Journal article (Peer reviewed)

Status: Published     |    År: 2018

 

Modeling magnetic circular dichroism within the polarizable embedding approach

Nørby, Morten Steen ; Coriani, Sonia ; Kongsted, Jacob
in: Theoretical Chemistry Accounts, vol: 137, issue: 49

Type: Journal article (Peer reviewed)

Status: Published     |    År: 2018     |    DOI: https://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, vol: 14, issue: 4, pages: 2145-2154

Type: Journal article (Peer reviewed)

Status: Published     |    År: 2018     |    DOI: https://doi.org/10.1021/acs.jctc.8b00155

 

Probing local and ultrafast spectroscopies by coupled cluster methods

Coriani, Sonia
in: American Chemical Society. Abstracts of Papers (at the National Meeting), vol: 256
Presented at:
256th ACS National Meeting and Exposition

Type: Conference abstract in journal (Peer reviewed)

Status: Accepted/In press     |    År: 2018

 

UV Absorption and Magnetic Circular Dichroism Spectra of Purine, Adenine, and Guanine: a Coupled Cluster Study in Vacuo and in Aqueous Solution

Karbalaei Khani, Sarah ; Faber, Rasmus ; Santoro, Fabrizio ; Hattig, Christof ; Coriani, Sonia
in: Journal of Chemical Theory and Computation

Type: Journal article (Peer reviewed)

Status: Accepted/In press     |    År: 2018     |    DOI: https://doi.org/10.1021/acs.jctc.8b00930

2017
  PDF

Developing Theoretical “Beamlines” for Modern Experiments

Coriani, Sonia
Presented at:
The 11th Triennial Congress of the World Association of Theoretical and Computational Chemists

Type: Conference abstract for conference (Peer reviewed)

Status: Published     |    År: 2017

  PDF

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, vol: 16, issue: 9, pages: 1415-1423

Type: Journal article (Peer reviewed)

Status: Published     |    År: 2017     |    DOI: https://doi.org/10.1039/c7pp00105c