scholarly journals Preparation and characterization of primary magnesium mixtures for the ab initio calibration of absolute magnesium isotope ratio measurements

2016 ◽  
Vol 31 (1) ◽  
pp. 179-196 ◽  
Author(s):  
Björn Brandt ◽  
Jochen Vogl ◽  
Janine Noordmann ◽  
Angela Kaltenbach ◽  
Olaf Rienitz
Keyword(s):  
Ab Initio ◽  
Isotope Ratio ◽  
Magnesium Isotope ◽  
Isotope Ratio Measurements

Isotope mixtures for the ab initio-calibration of Mg isotope ratio measurements were prepared with unrivalled relative expanded uncertainties as low as 0.005%.

scholarly journals Correction: Preparation and characterization of primary magnesium mixtures for the ab initio calibration of absolute magnesium isotope ratio measurements

2019 ◽  
Vol 34 (11) ◽  
pp. 2340-2340
Author(s):  
Björn Brandt ◽  
Jochen Vogl ◽  
Janine Noordmann ◽  
Angela Kaltenbach ◽  
Olaf Rienitz
Keyword(s):  
Ab Initio ◽  
Isotope Ratio ◽  
Magnesium Isotope ◽  
Isotope Ratio Measurements

Correction for ‘Preparation and characterization of primary magnesium mixtures for the ab initio calibration of absolute magnesium isotope ratio measurements’ by Björn Brandt et al., J. Anal. At. Spectrom., 2016, 31, 179–196.

Magnesium isotope heterogeneity of the isotopic standard SRM980 and new reference materials for magnesium-isotope-ratio measurements

2003 ◽  
Vol 18 (11) ◽  
pp. 1352 ◽  
Author(s):  
Albert Galy ◽  
Olga Yoffe ◽  
Philip E. Janney ◽  
Ross W. Williams ◽  
Christophe Cloquet ◽  
...  
Keyword(s):  
Reference Materials ◽  
Isotope Ratio ◽  
Magnesium Isotope ◽  
Isotopic Standard ◽  
Isotope Ratio Measurements

Characterization of the new isotopic reference materials IRMM-524A and ERM-AE143 for Fe and Mg isotopic analysis of geological and biological samples

2020 ◽  
Vol 35 (11) ◽  
pp. 2517-2529
Author(s):  
Claudia González de Vega ◽  
Stepan M. Chernonozhkin ◽  
Rosa Grigoryan ◽  
Marta Costas-Rodríguez ◽  
Frank Vanhaecke
Keyword(s):  
Reference Materials ◽  
Biological Samples ◽  
Isotope Ratio ◽  
Isotopic Analysis ◽  
Ratio Data ◽  
Stable Isotopic ◽  
Isotope Ratio Measurements

Isotopic reference materials (IRMs) are crucial for securing accurate and precise isotope ratio measurements of non-traditional stable isotopic systems and for enabling comparison of isotope ratio data obtained at different labs.

Ab initio characterization of the low‐lying vibrations of HCO (DCO) in the B̃ 2A′ state

1995 ◽  
Vol 103 (18) ◽  
pp. 7664-7672 ◽  
Author(s):  
Jianxin Qi ◽  
Joel M. Bowman ◽  
M. Riad Manaa
Keyword(s):  
Ab Initio

Relation between Magnetic, Spectroscopic and Structural Properties of Binuclear Copper(II) Complexes of Pentadentate Schiff-base Ligand, Semi-empirical and ab-initio Calculations

2003 ◽  
Vol 58 (5-6) ◽  
pp. 363-372 ◽  
Author(s):  
Y. Elerman ◽  
H. Kara ◽  
A. Elmali
Keyword(s):  
Ab Initio ◽  
Coupling Constants ◽  
Antiferromagnetic Coupling ◽  
X Ray Diffraction ◽  
Hartree Fock ◽  
Ligand Orbital ◽  
Rhf Calculations ◽  
The Difference ◽  
Semi Empirical

The synthesis and characterization of [Cu2(L1)(3,5 prz)] (L1=1,3-Bis(2-hydroxy-3,5-chlorosalicylideneamino) propan-2-ol) 1 and of [Cu2(L2)(3,5 prz)] (L2=1,3-Bis(2-hydroxy-bromosalicylideneamino) propan-2-ol) 2 are reported. The compounds were studied by elemental analysis, infrared and electronic spectra. The structure of the Cu2(L1)(3,5 prz)] complex was determined by x-ray diffraction. The magnetochemical characteristics of these compounds were determined by temperaturedependent magnetic susceptibility measurements, revealing their antiferromagnetic coupling. The superexchange coupling constants are 210 cm−1 for 1 and 440 cm−1 for 2. The difference in the magnitude of the coupling constants was explained by the metal-ligand orbital overlaps and confirmed by ab-initio restricted Hartree-Fock (RHF) calculations. In order to determine the nature of the frontier orbitals, Extended Hückel Molecular Orbital (EHMO) calculations are also reported.

Thermal, Spectroscopic, and Ab Initio Structural Characterization of Carprofen Polymorphs

2011 ◽  
Vol 100 (6) ◽  
pp. 2321-2332 ◽  
Author(s):  
Giovanna Bruni ◽  
Fabia Gozzo ◽  
Doretta Capsoni ◽  
Marcella Bini ◽  
Piero Macchi ◽  
...  
Keyword(s):  
Ab Initio ◽  
Structural Characterization
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