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1.	Schwartz, GG, et al. (author) Alirocumab and Cardiovascular Outcomes after Acute Coronary Syndrome 2018 In: The New England journal of medicine. - : MASSACHUSETTS MEDICAL SOC. - 1533-4406 .- 0028-4793. ; 379:22, s. 2097-2107 Journal article (peer-reviewed)
2.	Norell, Jesper, et al. (author) Photoelectron shake-ups as a probe of molecular symmetry : 4d XPS analysis of I-3(-) in solution 2018 In: Physical Chemistry, Chemical Physics - PCCP. - : Royal Society of Chemistry (RSC). - 1463-9076 .- 1463-9084. ; 20:30, s. 19916-19921 Journal article (peer-reviewed)abstract A combination of multi-configurational restricted active space calculations with a Dyson orbital formalism has been applied for accurate simulations of 4d photo-electron spectra of the I-3(-) molecular ion. The analysis based on the occupation numbers of natural orbitals allowed to predict and rationalize the spectral fingerprints of solvent-induced nuclear asymmetry. In particular, it demonstrates how the nuclear asymmetry directly causes an increase of shake-up intensity. The relative intensity of shake-up and main features of the I 4d XPS spectrum could therefore serve as a simplified experimental observable of structural asymmetry, complementary to changes in the shape of the main spectral features.

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Type of publication: journal article (2)

Type of content: peer-reviewed (2)

Author/Editor: King, M. (1); Li, Y. (1); Schmidt, E. (1); Zaman, A. (1); Zhang, Z. (1); Zhu, H. (1); show more...; Guo, Y (1); Ahmed, H. (1); Kaiser, S. (1); Nikolaev, K. (1); Schwartz, M. (1); Kumar, A. (1); Robinson, S. (1); Zheng, Y. (1); Costa, F. (1); Das, S. (1); Diaz, R. (1); Mahajan, A. (1); Davies, R (1); Aggarwal, R. (1); Andersen, K (1); Diaz, A. (1); Cohen, S. (1); Rosenberg, M. (1); Gullestad, L (1); Hong, T. (1); Kumar, P. (1); Khan, A. (1); Davis, W. (1); Aboyans, V (1); Khan, M (1); Liu, SW (1); Pandey, A (1); Sarkar, D. (1); Hoffman, D (1); Takahashi, T. (1); Marx, R. (1); Bottcher, M. (1); White, M. (1); Seferovic, P (1); Wells, T (1); Katz, A. (1); Ito, K. (1); Kobayashi-, J (1); Anderson, J. (1); Harding, S (1); Huang, L. (1); Vulic, D (1); Pearce, S (1); Gerber, J. (1); show less...

University: Uppsala University (1); Stockholm University (1); Karolinska Institutet (1)

Language: English (2)

Research subject (UKÄ/SCB): Natural sciences (1); Medical and Health Sciences (1)

Year: 2018 (2)Undo refine

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