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Prikaz rezultata 41-50 od 93
Supplementary material for: "Comparative study of the effects of a small-scale trout farm on the macrozoobenthos, potamoplankton and epilithic diatom communities"
(Springer, 2017)
Table S1 Relative abudance (%) of epilithic diatoms on research localities of the Raška River. Table S2 Relative abudance (%) of potamoplankton at research localities of the Raška River. Table S3 Relative abudance (%) of ...
Supporting material for: "In silico design of a new Zn-triazole based metal-organic framework for CO2 and H2O adsorption"
(American Institute of Physics (AIP Publishing), 2021)
Figure S1: Convergence of the total energy with plane wave cut-off and k point sampling mesh for MAF-66. Figure S2: Pore size distributions of MAF-66 (left) and ZTF (right). Figure S3: DFT optimized structures of parts of ...
CCDC 2057270: Experimental Crystal Structure Determination. Crystallographic data for "Charge assisted assembly of zwitterionic pyridone hydrates"
(The Cambridge Crystallographic Data Centre (CCDC), 2021)
UREZID : 3-(3,5-dimethylpyridin-1-ium-1-yl)-4-methyl-6-oxo-1,6-dihydropyridin-2-olate tetrahydrate Space Group: P 1 (2), Cell: a 7.4411(15)Å b 10.581(2)Å c 11.235(2)Å, α 108.96(3)° β 96.14(3)° γ 107.41(3)°
Supporting information for: "Cytotoxic Activity of Riccardin and Perrottetin Derivatives from the Liverwort Lunularia cruciata"
(American Chemical Society (ACS), 2019)
NMR spectra of the isolated compounds and additional figures and tables. Table S1. Elution Program for the Silica Gel Column Separation; Figure S1. Aromatic part of the 1H NMR spectrum of compound 1;
Supplementary material for: "Characterization of potential probiotic strain, L. reuteri B2, and its microencapsulation using alginate-based biopolymers"
(Elsevier, 2021)
Preparation of materials for encapsulation (Materials, Laboratory isolation of ricinoleic acid, Laboratory preparation of starch maleate monoester, Characterization, Statistical analysis). Additional results (Antimicrobial ...
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 ...
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 information for: "Origin of the Zero-Field Splitting in Mononuclear Octahedral Mn-IV Complexes: A Combined Experimental and Theoretical Investigation"
(American Chemical Society (ACS), 2016)
Additional EPR spectra and computational details. Cartesian coordinates of all structures reoriented in a standard way, as explained in the main text.
Supporting information for: "Cu(II), Mn(II) and Zn(II) complexes of hydrazones with a quaternary ammonium moiety: synthesis, experimental and theoretical characterization and cytotoxic activity"
(Royal Society of Chemistry (RSC), 2022)
In this paper, Cu(II), Mn(II) and Zn(II) complexes with N,N,N-trimethyl-2-oxo-2-(2-(1-(thiazol-2-yl)ethylidene)hydrazinyl)ethan-1-aminium chloride (HL1Cl) were synthesized and characterized by single-crystal X-ray diffraction, ...
Supporting material for: "Charge assisted assembly of zwitterionic pyridone hydrates"
(Elsevier, 2021)
Fig. S1 Optimized geometry forms of compound 1 without (1a, 1b, 1c) and with water molecules (1d ,1e, 1f). Table S1 Optimized geometry forms of compound 1·2H2O in comparison with experimental data. Fig. S2 Optimized geometry ...