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Supplementary information for: "Dissociative electron attachment and electronic excitation in Fe(CO)(5)"
(Royal Soc Chemistry, Cambridge, 2018)
Geometry of Fe(CO)5 (xyz coordinates); Excited states: Spin and dipole allowed transitions; Spin allowed, dipole forbidden transitions; Singlet-triplet transitions.
Supplementary material for: "What is the nature of bonding in [Fe(CO)3(NO)]− and [Fe(CO)4]2−?"
(Springer Nature, 2020)
Additional computational results: Energy decomposition analysis of [Fe(CO)3]2−– CO at SR-ZORA-BP86-D4/TZP and SR-ZORA-BHandHLYP/TZP level of theory; energy decomposition analysis of [Fe(CO)3–NO]¯ for different fragmentation ...
CCDC 1886534: Experimental Crystal Structure Determination. Crystallographic data for: "Highly-efficient N-arylation of imidazole catalyzed by Cu(II) complexes with quaternary ammonium-functionalized 2-acetylpyridine acylhydrazone"
(The Cambridge Crystallographic Data Centre (CCDC), 2019)
HIYYAS : chloro-[2-(oxy)-N,N,N-trimethyl-2-{[1-(pyridin-2-yl)ethylidene]hydrazinylidene}ethan-1-aminiumato]-perchlorato-copper(ii) Space Group: P 21/c (14), Cell: a 9.9406(2)Å b 9.5650(2)Å c 18.8796(5)Å, α 90° β 94.7120(10)° γ 90°
Supporting Information for: "Combined Experimental and Theoretical Investigation of the Origin of Magnetic Anisotropy in Pentagonal Bipyramidal Isothiocyanato Co(II), Ni(II), and Fe(III) Complexes with Quaternary-Ammonium-Functionalized 2,6-Diacetylpyridine Bisacylhydrazone"
(American Chemical Society (ACS), 2019)
Comparison of the EPR spectra of 1 and 2 (Figure S1); additional Mössbauer spectra (Figures S2–S5); Kohn–Sham molecular orbitals with dominant metal d character (Figures S6–S8); calculated principal components of the ...
Supplementary Materials for: "Characterization, axial anisotropy and formation conditions of celestine from the Jabal Eghei (Nuqay) late Neogene – Pleistocene volcanic province, southern Libya: Constraints on the mineralogical geothermometer"
(Cambridge University Press, 2023)
Figure S1. a The investigated area within the circum-Mediterranean realm; b Geological Mapping campaign of central and southern Libya (marked with green color); c The wider area of the Al Haruj and Jabal Eghei Volcanic ...
Appendix for: "Occurrences and characterization of alunite group minerals from the Lece-Radan Oligo-Miocene volcanic complex (Serbia)"
(Polish Geological Institute - National Research Institute, 2021)
APPENDIX 1
Qualitative and semi-quantitative mineral compositions of the studied samples
Marks: Q - quartz; F - feldspars; Cl - clays: Sm - smectite, K - kaolinite (dickite), I - illite
(sericite), P - pyrophyllite and ...
Supplementary Materials for: "Orthorhombic crystal structure of grossular garnet (Suva Česma, Western Serbia): Evidence from the Rietveld refinement"
(MDPI, Basel, Switzerland, 2023)
Table S1. Profile parameters for the studied space groups without constraints.; Table S2. Unit cell dimensions and quantitative contents of garnet and chlorite for the studied space groups without constraints. Calculated ...
Supplementary Materials for: "Structural dissymmetrization of optically anisotropic Grs64±1Adr36±1Sps2 grandite from Meka Presedla (Kopaonik Mt., Serbia)"
(Cambridge University Press, 2020)
Supplementary 1. Chemical compositions, β0-90° values, degrees of ordering (m), intersite distribution coefficients (K1–2) and space groups of low symmetry grandite samples. Supplementary 2. Atom parameters (in Å) and ...
Supplementary information for: "Identifying the Biological Potential of Western Balkan Polypore Mushroom Species to Mitigate the Negative Effects of Global Mushroom Cultivation"
(Preprints, 2023)
Growing mushrooms is meeting challenges while aiming for sustainability and circularity. Wherever the producer is located, commercial strains are the same originating from several producers. Following the harvest, enormous ...
CCDC 2220149: Experimental Crystal Structure Determination. Crystallographic data for: "Copper(II) and silver(I) complexes with dimethyl 6-(pyrazine-2-yl)pyridine-3,4-dicarboxylate (py-2pz): the influence of the metal ion on the antimicrobial potential of the complex"
(The Cambridge Crystallographic Data Centre (CCDC), 2023)
TEZMEU: Space Group: P 1 (2), Cell: a 7.4731(4)Å b 11.7049(4)Å c 17.6092(8)Å, α 97.285(4)° β 96.617(4)° γ 102.781(4)°