ATOM-code

First, the experimental results were compared with atomic-code calculations that assume a steady state in order to derive time- and space-averaged electron temperatures of the bulk plasma. In this calculation, Thot is assumed to be 50 keV and a to be 1%. C2H3C1 plasma with an ion density of 9 x 1022 cm 3 or Al plasma with a density of 6 x 1022/cm3 was used. Results are shown in Fig. 10.4a for Cl. Due to difficulties with spectrally isolating the Cl9+ O-like Ka line from C1+ Cl8+ lines, the intensity ratios are taken with respect... 

The authors are glad to thank many scientists, who have contributed to the results. The TEXTOR team, where the measurements were performed and highly reproducible plasmas were provided, especially to Dr. W. Biel, who did the experiments on the transport properties of TEXTOR, Prof. L. Vainshtein, Dr. A. Urnov and F. Goryaev provided us with the results of atomic data calculation. Dr. N. Badnell trained one of us (O. M.) to get the results on dielectronic recombination using atomic codes. Dr. S. Fritzsche put our attention to the cascades within the Li-like ions and Prof. R. Janev discussed the charge exchange recombination processes. Princeton Plasma Physics Laboratory supported the measurements on TEXTOR, both by cooperation with Dr. M. Bitter, and loan of X-ray detectors. 

A fuller account of the poly atom code was published in 1966 by Csizmadia, Harrison, Moskowitz and Sutcliffe in a paper entitled Non-Empirical LCAO-MO-SCF-CI Calculations on Organic Molecules with Gaussian Type Functions. Part I. Introductory Review and Mathematical Formalism . This was followed immediately... 

Graphs with identical atomic codes for all the vertices, i.e. there exists a one-to-one correspondence between the atomic codes of all vertices. The most well-known atomic codes are -> walk count atomic code, - self-returning walk count atomic code, - atomic path code. 

For the i th atom of a molecule, the sequence of atomic self-returning walk counts of increasing length up to A defines the self-returning walk atomic code (Sf Wy4C) ... 

By summing all the entries of the self-returning walk atomic code, a different local invariant called vertex structural code (SC, or structural code) is obtained ... 

The walk count atomic code of each ith atom is the ordered sequence of atomic walk counts of increasing length ... 

Walks starting from two different vertices v, and are called equipotent walks if their walk count atomic codes are the same. Moreover, if the vertices v, and v, are nonequivalent, equipotent walks are called unusual walks and the corresponding vertices unusual vertices [Randic et al, 1983b]. 

Fig.3 Structure of [Mni20i2(02CPh)8(adc)4(H20)4] [38]. Atom code as in Fig. 1 plus S = large/black. Hydrogen atoms omitted for clarity...

Using the SYBYL atomic codes, atom-types are classified as carbon, hydrogen, oxygen, nitrogen, sulfur, phosphorous, and halogens in neutral organic molecules, according to their... 

AAC Augmented Atom Codes CAMD Computer-Aided Molecular... 

The fuUy relativistic Dirac-Slater atomic code, DIRAC, is one of the auxiliary programs distributed with the ADF code. 

Leaving group The group of atoms (coded g w In this text) displaced in a. substitution reaction. 

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