Coriani S - Search Results

1

Correction: Dyson orbitals within the fc-CVS-EOM-CCSD framework: theory and application to X-ray photoelectron spectroscopy of ground and excited states.

Vidal ML, Krylov AI, Coriani S. Vidal ML, et al. Among authors: coriani s. Phys Chem Chem Phys. 2020 Feb 14;22(6):3744-3747. doi: 10.1039/d0cp90012e. Epub 2020 Jan 31. Phys Chem Chem Phys. 2020. PMID: 32002527

2

Genome-Driven Discovery of Hygrocins in Streptomyces rapamycinicus.

Mahmoud Mohamed MM, Yang Z, Lum KY, Peschel G, Rosenbaum MA, Weber T, Coriani S, Gotfredsen CH, Ding L. Mahmoud Mohamed MM, et al. Among authors: coriani s. J Nat Prod. 2024 May 24;87(5):1321-1329. doi: 10.1021/acs.jnatprod.3c00767. Epub 2024 Apr 22. J Nat Prod. 2024. PMID: 38647518

3

New and Efficient Equation-of-Motion Coupled-Cluster Framework for Core-Excited and Core-Ionized States.

Vidal ML, Feng X, Epifanovsky E, Krylov AI, Coriani S. Vidal ML, et al. Among authors: coriani s. J Chem Theory Comput. 2019 May 14;15(5):3117-3133. doi: 10.1021/acs.jctc.9b00039. Epub 2019 May 1. J Chem Theory Comput. 2019. PMID: 30964297

4

Core-valence-separated coupled-cluster-singles-and-doubles complex-polarization-propagator approach to X-ray spectroscopies.

Faber R, Coriani S. Faber R, et al. Among authors: coriani s. Phys Chem Chem Phys. 2020 Feb 7;22(5):2642-2647. doi: 10.1039/c9cp03696b. Epub 2019 Sep 3. Phys Chem Chem Phys. 2020. PMID: 31478538

5

X-ray and UV Spectra of Glycine within Coupled Cluster Linear Response Theory.

Myhre RH, Coriani S, Koch H. Myhre RH, et al. Among authors: coriani s. J Phys Chem A. 2019 Nov 14;123(45):9701-9711. doi: 10.1021/acs.jpca.9b06590. Epub 2019 Oct 31. J Phys Chem A. 2019. PMID: 31549830

6

Time-resolved near-edge X-ray absorption fine structure of pyrazine from electronic structure and nuclear wave packet dynamics simulations.

Tsuru S, Vidal ML, Pápai M, Krylov AI, Møller KB, Coriani S. Tsuru S, et al. Among authors: coriani s. J Chem Phys. 2019 Sep 28;151(12):124114. doi: 10.1063/1.5115154. J Chem Phys. 2019. PMID: 31575192

7

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.

Nanda KD, Vidal ML, Faber R, Coriani S, Krylov AI. Nanda KD, et al. Among authors: coriani s. Phys Chem Chem Phys. 2020 Feb 7;22(5):2629-2641. doi: 10.1039/c9cp03688a. Epub 2019 Oct 10. Phys Chem Chem Phys. 2020. PMID: 31599295

8

Spin adapted implementation of EOM-CCSD for triplet excited states: Probing intersystem crossings of acetylacetone at the carbon and oxygen K-edges.

Faber R, Kjønstad EF, Koch H, Coriani S. Faber R, et al. Among authors: coriani s. J Chem Phys. 2019 Oct 14;151(14):144107. doi: 10.1063/1.5112164. J Chem Phys. 2019. PMID: 31615219

9

Dyson orbitals within the fc-CVS-EOM-CCSD framework: theory and application to X-ray photoelectron spectroscopy of ground and excited states.

Vidal ML, Krylov AI, Coriani S. Vidal ML, et al. Among authors: coriani s. Phys Chem Chem Phys. 2020 Feb 7;22(5):2693-2703. doi: 10.1039/c9cp03695d. Epub 2019 Nov 7. Phys Chem Chem Phys. 2020. PMID: 31696165

10

Lanczos-based equation-of-motion coupled-cluster singles-and-doubles approach to the total photoionization cross section of valence excited states.

Cabral Tenorio BN, Chaer Nascimento MA, Rocha AB, Coriani S. Cabral Tenorio BN, et al. Among authors: coriani s. J Chem Phys. 2019 Nov 14;151(18):184106. doi: 10.1063/1.5125125. J Chem Phys. 2019. PMID: 31731870

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