Electronic Spectra
Theoretical study of the electronic spectra of small molecules that incorporate analogues of the copper cysteine bond
... with only a small basis set dependence, where the wavefunction based methods showed a greater dependence on the basis set, and it was concluded that neither the oxidised or reduced forms of the active site were ...
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ELECTRONIC SPECTRA AND SOLVENT EFFECT OF 5-BROMO-2-3-DIHYDROXY PYRIDINE
... vibrational spectra of di-substituted pyridines have also been studied [5], but very little work appears on the IR spectra of tri-substituted pyridines ...and electronic spectra of some ...
5
Synthetic Approaches and Electronic Spectra of Some New Butamethine Asycyanine Colorants
... electronic spectra. All the colorants showed increase in electronic spectra whether electron withdrawing or ...the electronic spectra ...of electronic spectra ...
5
Electronic spectra of holmium(3+) and samarium(3+) ions in calcium fluoride crystals
... h o s t c r y s t a l by m eans o f h e a t t r e a t m e n t . I t was f o u n d t h a t h e a t t r e a t m e n t i n o p e n a i r c h a n g e s t h e p o i n t sym m etry a r o u n d t h e r a r e - e a r t h i o n ...
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Vibrational and Electronic Spectra of 2 Phenyl 2 Imidazoline: A Combined Experimental and Theoretical Study
... strong electronic transition at ...absorption spectra but it also increases the light absorption efficiency of com- pound, owing to the facilitation of intramolecular charge transfer ...
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The prediction of metastable impact electronic spectra (MIES): perfect and defective MgO(001) surfaces by state-of-the-art methods
... 4h ), only six k-points have been used in our projected DOS calculations, which is equivalent to 750 tetrahedra. Likewise, we have considered the same four lateral positions (four trajectories) of the He1 atom as for the ...
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I. Spectroscopic evidence for slow vibrational relaxation in excited electronic states of diatomics in rare gas solids. II. Static crystal field effects in the electronic spectra of isotopically mixed benzene crystals
... Static crystal field effects on the absorption, fluorescence, and phosphorescence spectra of isotopically mixed benzene crystals were investigated.. Evidence is presented which[r] ...
312
Rotational and vibronic effects in molecular electronic spectra
... Single crystals of purine were made by rapid sublimation of a commercial sample (Fluka A.G., puriss grade, 99.5% pure). This is a somewhat tricky operation: the heating must border on violence. The largest crystals had ...
185
Analysis of Molecular Structure, Vibrational spectra and Electronic Properties of 2 amino 3 nitro 6 picoline by Density Functional Methods
... Pyridines and its derivatives are heterocyclic compounds occurring naturally a large number that are building blocks of biologically important molecules and important industrial, pharmaceutical and agricultural products ...
9
Investigation of solvent effects on electronic absorption spectra of some substituted 1,2,4-triazoline-3-thiones
... The electronic absorption spectra of 4-butyl- 5-octyl-2,4-dihydro-3H-1,2,4-triazoline-3-thione (com- pound I), 4-allyl-5-octyl-2,4-dihydro-3H-1,2,4-tri- azo-line-3-thione (compound II), 4-phenyl-5-octyl- ...
8
Electronic absorption spectra of mantle minerals
... peaks with pressure is not linear, but instead displays a discontinuity between 1.61 and 1.85 GPa. The discontinuity occurs near the pressure Wiere Hugh - Jones et al. (1994) observed a transition in FeSiO^ from P2i /c ...
245
Capturing the spectra of solar cells
... Index 254 PClD simulations front illumination, 89- 91 rear illumination, 97 dislocation loop, 162 extraction of IQEVoc, 64 fl.ash spectrum, 197 generation rate mono-exponential, 21 effec[r] ...
264
Control spectra for Quito
... It is important to emphasize that the spectra shape changes according to the type of soil, as can be observed later in Fig. 6. Therefore, a brief explanation of the type of soils in Quito is presented in the ...
11
Seismic Test Spectra for Composite Multi-Site Broadband Required Response Spectra
... Response Spectra (ISRS) and generic qualification of plant components and equipment, by considering Required Response Spectra (RRS) that envelope all individual site-specific ...enveloping spectra ...
10
Spectra Series Switchboards
... Rejection Fuse and Clip is a combination of fuses and clips that will not accept fuses of lower ratings and types. Can be used for Class R and other fuse types. Reverse Feed. The following devices have been tested and ...
84
Spectra for commutative algebraists
... An element of this direct limit is called a ‘stable’ map. In fact [X, Y ] is an abelian group, because the first suspension coordinate allows addition by concatenation, and the second suspension coordinate gives room to ...
26
Radio spectra of QSOs and galaxies
... (iii) A number of spectra steepen at higher frequencies. Others show negative curvature (increasing spectral index with increasing frequency), particularly at lower frequencies. Such sources have components of ...
320
Spectra-based sentiment analysis
... These results suggest that spectra-based sentiment analysis can be implemented. Let’s assume a stress- ful working environment as, for example, help desks or telemarketing, where the operators are under different ...
6
ON THE SPECTRA OF CYCLES AND PATHS
... two spectra show differences with the other graph types as these two are the only ones the elements of which can be stated in terms of the roots of ...these spectra in terms of spectra of some ...
10
Analysis of the spectra of degraded documents
... Since the reflectance and absorbance of the parchments vary across the spectrum, techniques that measure reflectance in many wavelengths are useful. Multispectral imaging (MSI) is a class of procedures that have proved ...
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