摘要:

In some dynamical problems one may need to perform repeatedly non numerical calculations on algebraic expressions. In such a case one can use the FORMAC system which allows to carry out algebraic calculations on a digital computer. Since we have afforded this problem in one particular case, we wish to illustrate this application of FORMAC in order to bring to the attention of chemical physicists the existence of such computational technique.

ISSN:0038-7010    

DOI:10.1080/00387017708065022

出版商:Taylor & Francis Group    

年代:1977

数据来源: Taylor

摘要:

We have calculated Franck-Condon factors and R-centroids for several singlet systems of ScF, YF, and LaF, taking into account the effect of rotation-vibration interaction. It has been found that this effect is far from being negligible for several cases.

ISSN:0038-7010    

DOI:10.1080/00387017708065023

出版商:Taylor & Francis Group    

年代:1977

数据来源: Taylor

摘要:

The potential applications of chemically induced dynamic magnetic polarization in photochemistry have recently been emphasized1.The better understanding of the mechanisms involved in the magnetic polarization permits the combination of CIDEP, CIDNP, and the conventional e.s.r. and n.m.r. techniques to be a powerful tool with which to study organic photochemistry involving excited triplet states and free radical reactions. The recent discovery of electron polarization in photosynthesis systems2is expected to open another exciting area for magnetic polarization applications. The photolysis of tetrachloro-p-benzoquinone, p-Chloranil, has attracted much attention3,4as model system in conventional e.s.r. studies. We report here a further investigation of the photoreduction of p-chloranil by a variety of hydrogen donors using the combined e.s.r., CIDEP and CIDNP method.

ISSN:0038-7010    

DOI:10.1080/00387017708065024

出版商:Taylor & Francis Group    

年代:1977

数据来源: Taylor

摘要:

The structure of bilirubin and of bilirubin derivatives has been studied by various physical techniques, including optical spectroscopy(1,2), optical rotatory dispersion,(4)isotope exchange(5)and proton magnetic resonance spectroscopy(2,3,5).A good deal of chemical information on bilirubin is also available(6).The interpretation of most of the experimental results, however, have been inconclusive and different possible structures of the molecule could be shown to accommodate the experimental data.

ISSN:0038-7010    

DOI:10.1080/00387017708065025

出版商:Taylor & Francis Group    

年代:1977

数据来源: Taylor

摘要:

In the present investigation the vapour phase electronic spectra of few orthohalogenated pyridines have been studied in the wavelength region 1860 Å - 2200 Å. The new band systems are identified as the shifted n - π* transition. The solvent effect has also been studied and the results support the above conclusion. The observed bands have been analysed in terms of fundamentals, their combinations and overtones.

ISSN:0038-7010    

DOI:10.1080/00387017708065026

出版商:Taylor & Francis Group    

年代:1977

数据来源: Taylor

摘要:

Calculated vibrational frequencies are reported for the PMo12O403–ion according to a 53-atomic tetrahedral model (Td). The results are compared with calculated frequencies for fragments of this structure, viz. PO4(Td), Mo3O13(C3v), Mo3O7(C3v, Mo2O11(Cs) and Mo2O10(Cs).

ISSN:0038-7010    

DOI:10.1080/00387017708065027

出版商:Taylor & Francis Group    

年代:1977

数据来源: Taylor

摘要:

Three set of force constants have been calculated for planer AlCl3, GaCl3and InCl3employing OVFF, UBFF and GVFF models and using recent vibrational data. The unobserved frequency V2(Am) has been calculated with the help of OVFF constant and has been used in calculating other molecular constants. Compliance constants are also calculated. The trends of force conetants and ralative strength of chemical bonds discussed. The mean amplitudes of vibration at tempareturee)°K, 298.15°K and 500°K have also been avaluated and the resulte are discussed briefly.

ISSN:0038-7010    

DOI:10.1080/00387017708065028

出版商:Taylor & Francis Group    

年代:1977

数据来源: Taylor

摘要:

The blue-green (B2ε X2ε) and orange (A2ε –X2ε) systems of yttrium oxide have been shock excited at temperatures of about 4000°K and photographed at high dispersion (∼ 1.2Å/mm) in the first order of a 21 ft. grating spectrograph. The high dispersion shock excited spectra were recorded using multiple exposures and latensification of extremely high speed film. Over 50 new bands have been observed and assigned to specific vibrational transitions for the systems. New molecular constants have been derived from the A, B and X states. Provisional calculations have been made of Franck-Condon factors and r-centroids for the systems appropriate to new constants.

ISSN:0038-7010    

DOI:10.1080/00387017708065029

出版商:Taylor & Francis Group    

年代:1977

数据来源: Taylor

摘要:

This is a scanned image of the original Editorial Board page(s) for this issue.

ISSN:0038-7010    

DOI:10.1080/00387017708065021

出版商:Taylor & Francis Group    

年代:1977

数据来源: Taylor