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The theoretical prediction of x-ray absorption spectra (XAS) has become commonplace in electronic structure theory. The ability to better model and understand L-edge spectra is of great interest in the study of transition metal complexes and a wide variety of solid state materials. However, until...
Predicting accurate nuclear magnetic resonance chemical shieldings relies upon cancellation of different types of errors between the theoretically calculated shielding constant of the analyte of interest and the reference. Often, the intrinsic error in computed shieldings due to basis sets...
Last updated on 2024-03-03T02:26:52+00:00 by LN Anderson The Thermo Scientific™ Q Exactive™ Plus Mass Spectrometer benchtop LC-MS/MS system combines quadruple precursor ion selection with high-resolution, accurate-mass (HRAM) Orbitrap detection to deliver exceptional performance and versatility...
Last updated on 2024-03-03T02:26:52+00:00 by LN Anderson The Thermo Scientific™ Velos Pro™ Orbitrap Mass Spectrometer instrument data source combines advanced mass accuracy with an ultra-high resolution Orbitrap mass analyzer for increased sensitivity, enabling molecular weight determination for...
Bruker Daltonics SolariX Magnetic Resonance Mass Spectrometry (MRMS) instruments are available for different magnetic field strengths of 7T, 12T and 15T. The SolariX XR and 2xR instruments use magnetron control technology and a newly developed, high sensitivity, low noise preamplifier to exploit...
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The Thermo Scientific™ Q Exactive™ GC hybrid quadrupole Orbitrap Mass Spectrometer provides an unmatched combination of sensitivity, mass-accuracy and resolving power in a single analysis for the highest confidence in compound discovery, identification, and quantitation. With best-in-class...
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The IONTOF TOF.SIMS 5 data source is a time-of-flight secondary ion mass spectrometer and powerful surface analysis tool used to investigate scientific questions in biological, environmental, and energy research. Among the most sensitive of surface analysis tools, it uses a high-vacuum technique...