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Accurate X-ray absorption spectra near L- and M-edges from relativistic four-component damped response time-dependent density functional theory

  1. TitleAccurate X-ray absorption spectra near L- and M-edges from relativistic four-component damped response time-dependent density functional theory
    Author Konečný Lukáš
    Co-authors Vícha Jan

    Komorovský Stanislav 1982 SAVANOCH - Ústav anorganickej chémie SAV    ORCID

    Ruud Kenneth

    Repiský Michal

    Source document Inorganic Chemistry. Vol. 61, no. 2 (2022) p. 830-846
    Languageeng - English
    CountryUS - United States of America
    URLURL link
    Document kindrozpis článkov z periodík (rbx)
    CitationsNASCIMENTO, Daniel R. - GOVIND, Niranjan. Computational approaches for XANES, VtC-XES, and RIXS using linear-response time-dependent density functional theory based methods. In PHYSICAL CHEMISTRY CHEMICAL PHYSICS, 2022, vol. 24, no. 24, pp. 14680-14691. ISSN 1463-9076. Available on: https://doi.org/10.1039/d2cp01132h.
    FRATELORETO, Federico - TAVANI, Francesco - DI BERTO MANCINI, Marika - DEL GIUDICE, Daniele - CAPOCASA, Giorgio - KIEFFER, Isabelle - LANZALUNGA, Osvaldo - DI STEFANO, Stefano - D'ANGELO, Paola. Following a Silent Metal Ion: A Combined X-ray Absorption and Nuclear Magnetic Resonance Spectroscopic Study of the Znsup2+/supCation Dissipative Translocation between Two Different Ligands. In Journal of Physical Chemistry Letters, 2022-06-23, 13, 24, pp. 5522-5529. Dostupné na: https://doi.org/10.1021/acs.jpclett.2c01468.
    CategoryADCA - Scientific papers in foreign journals registered in Current Contents Connect with IF (impacted)
    Category of document (from 2022)V3 - Vedecký výstup publikačnej činnosti z časopisu
    Type of documentčlánok
    Year2022
    Registered inWOS
    Registered inSCOPUS
    Registered inCCC
    DOI 10.1021/acs.inorgchem.1c02412
    article

    article

    File nameAccessSizeDownloadedTypeLicense
    Accurate X‑ray absorption spectra near L- and M‑edges from relativistic four-component damped response time-dependent density functional theory.pdfNeprístupný/archív4.7 MB1Publisher's version
    rokCCIFIF Q (best)JCR Av Jour IF PercSJRSJR Q (best)CiteScore
    A
    rok vydaniarok metrikyIFIF Q (best)SJRSJR Q (best)
    202220215.436Q11.121Q1
Number of the records: 1  

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