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ALL Article in Journal (70) Academic Dissertation (0) Book (2) Conference (2) Report (0) MISC (0) PATENT (0) Peer Reviewed (77)
2023
 

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

Liang, Chao ; Ndi, Chi ; Kjaerulff, Louise ; Semple, Susan ; Buirchell, Bevan ; Coriani, Sonia ; Møller, Birger Lindberg ; Staerk, Dan
in: Journal of Natural Products

Type: Journal article (Peer reviewed)

Status: Accepted/In press     |    Year: 2023     |    DOI: https://doi.org/10.1021/acs.jnatprod.2c00692

 

New Implementation of an Equation-of-Motion Coupled-Cluster Damped-Response Framework with Illustrative Applications to Resonant Inelastic X-ray Scattering

Schnack-Petersen, Anna Kristina ; Moitra, Torsha ; Folkestad, Sarai Dery ; Coriani, Sonia
in: Journal of Physical Chemistry A

Type: Journal article (Peer reviewed)

Status: Accepted/In press     |    Year: 2023     |    DOI: https://doi.org/10.1021/acs.jpca.2c08181

 

Polypharmacology-Labeled Molecular Networking

Zhao, Yong ; Gericke, Oliver ; Li, Tuo ; Kjaerulff, Louise ; Kongstad, Kenneth T. ; Heskes, Allison Maree ; Møller, Birger Lindberg ; Jørgensen, Flemming Steen ; Venter, Henrietta ; Coriani, Sonia ; Semple, Susan J. ; Staerk, Dan
in: Analytical Chemistry, vol: 95, pages: 4381−4389

Type: Journal article (Peer reviewed)

Status: Published     |    Year: 2023     |    DOI: https://doi.org/10.1021/acs.analchem.2c04859

 

Signatures of the Bromine Atom and Open-Shell Spin Coupling in the X-ray Spectrum of the Bromobenzene Cation

Epshtein, Michael ; Tenorio, Bruno Nunes Cabral ; Vidal, Marta L. ; Scutelnic, Valeriu ; Yang, Zheyue ; Xue, Tian ; Krylov, Anna I. ; Coriani, Sonia ; Leone, Stephen R.
in: Journal of the American Chemical Society, vol: 145, issue: 6, pages: 3554-3560

Type: Journal article (Peer reviewed)

Status: Published     |    Year: 2023     |    DOI: https://doi.org/10.1021/jacs.2c12334

2022
  PDF

A Tale of Two Vectors

Zamok, Luna ; Coriani, Sonia ; Sauer, Stephan P. A.
in: Journal of Chemical Physics, vol: 156, issue: 1

Type: Journal article (Peer reviewed)

Status: Published     |    Year: 2022     |    DOI: https://doi.org/10.1063/5.0071144

 

Cherry-Picking Resolvents

Andersen, Josefine H. ; Nanda, Kaushik D. ; Krylov, Anna I. ; Coriani, Sonia
in: Journal of Chemical Theory and Computation, vol: 18, issue: 10, pages: 6189–6202

Type: Journal article (Peer reviewed)

Status: Published     |    Year: 2022     |    DOI: https://doi.org/10.1021/acs.jctc.2c00541

  PDF

Core spectroscopy of oxazole

Schnack-Petersen, Anna Kristina ; Tenorio, Bruno Nunes Cabral ; Coriani, Sonia ; Decleva, Piero ; Troß, Jan ; Ramasesha, Krupa ; Coreno, Marcello ; Totani, Roberta ; Röder, Anja
in: Journal of Chemical Physics, vol: 157, issue: 21

Type: Journal article (Peer reviewed)

Status: Published     |    Year: 2022     |    DOI: https://doi.org/10.1063/5.0122088

  PDF

Disentangling the resonant Auger spectra of ozone

Tenorio, Bruno Nunes Cabral ; Møller, Klaus B. ; Decleva, Piero ; Coriani, Sonia
in: Physical Chemistry Chemical Physics, vol: 24

Type: Journal article (Peer reviewed)

Status: Published     |    Year: 2022     |    DOI: https://doi.org/10.1039/d2cp03709b

  PDF

Efficient implementation of molecular CCSD gradients with Cholesky-decomposed electron repulsion integrals

Schnack-Petersen, Anna Kristina ; Koch, Henrik ; Coriani, Sonia ; Kjønstad, Eirik F.
in: Journal of Chemical Physics, vol: 156, issue: 24

Type: Journal article (Peer reviewed)

Status: Published     |    Year: 2022     |    DOI: https://doi.org/10.1063/5.0087261

  PDF

Excited state absorption of DNA bases in the gas phase and in chloroform solution

Fedotov, Daniil A. ; Paul, Alexander C. ; Koch, Henrik ; Santoro, Fabrizio ; Coriani, Sonia ; Improta, Roberto
in: Physical Chemistry Chemical Physics, vol: 24, issue: 8, pages: 4987-5000

Type: Journal article (Peer reviewed)

Status: Published     |    Year: 2022     |    DOI: https://doi.org/10.1039/d1cp04340d


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