Spectroscopic quality

J. A. Newton. Applications of spectroscopic quality control techniques for oilfield chemicals. NACE Corrosion 88 (St Louis, MO, 3/21-3/25), 1988. 

Otto M, Bandemer H (1986a) Pattern recognition based on fuzzy observations for spectroscopic quality control and chromatographic fingerprinting. Anal Chim Acta 184 21... 

An obvious problem with these some what empirical approaches is that they are biased toward predictions of energy and therefore do not improve the wave function and electron density. Nevertheless, these types of methods can provide total energies and energy differences of chemical and even spectroscopic quality, and most likely will account for the majority of highly accurate computations during file next 10-20 years. 

Ultraviolet Spectroscopic Qualities of Platinum Group Compounds... 

The DMF used in SPPS coupling reactions must be anhydrous and free of dimethylamine. Spectroscopic quality DMF may be anhydrous, but may contain excessive amounts of dimethylamine. Every new batch of DMF received should be tested with 2,4-dinitro-fluorobenzene (DNFB) for the presence of dimethylamine as follows. 

Materials. Commercial polypropylene and poly(4-methylpent-l-ene) powders containing no commercial additives were supplied by I.C.I. (Plastics Division) Ltd. The powders were vacuum pressed into film of 200-/x thickness at 190° and 280°C respectively, for 1 min. The n-hexane was of spectroscopic quality. 

Fig. 33. Branching ratios for emission in Nd versus spectroscopic quality parameter (from Kaminskii...

Fuzzy Observations for Spectroscopic Quality Control and Chromatographic Fii erprinting. 

For analytic experiments, silver wires (1 mm diameter), vitreous and graphite carbon rods (3 mm diameter Mersen spectroscopic quality) were used as working electrodes while the auxiliary electrode was a silicon plate (4x8 mm) with a large surface area (3 cm ). The potentials were measured with reference to a silicon plate immersed in the molten electrolyte. 

Q4 < Qf, (see table 6) and the most intense transition is to the ln/2 state. If Q4>Q6, the p3/2 —> 19/2 transition has the highest intensity. For other lanthanide ions than Nd , the spectroscopic quality factor is not usable, since in general the branching ratio cannot be reduced to a function of the Q4IQ6 ratio. 

This paper addresses the question of what it means to have a spectroscopic quality potential energy surface. The literature of the last few years contains numerous references to spectroscopic quality ab initio molecular potentials, yet the definition of spectroscopic quality necessarily depends on the resolution of the experimental spectrum and the theoretical calculation. The accuracy of a molecular potential is perhaps better characterized by asking how well it reproduces experimental observables. This topic is explored by comparing the 1( 113/2) and X2 Yl rd potentials of the halogen monoxides determined from high-resolution spectroscopic studies with potentials computed using ab initio methods. The RKR potentials determined from spectroscopic data provide... 

---