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The effect of chlorine atoms on the charging kinetics of carbon nanoparticles forming in shock-heated plasma

โœ Scribed by Bronin, S. Ya.; Emelianov, A. V.; Eremin, A. V.; Khrapak, A. G.


Book ID
119882086
Publisher
Springer
Year
2012
Tongue
English
Weight
263 KB
Volume
50
Category
Article
ISSN
0018-151X

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Linear dependence between the experimental K, line shifts and Mulliken atomic charges obtained by SCF ab initio calculations with 4-31G, 4-31G, and 4-31G" basis sets for the E S, and Cl atoms have been found. The electron density redistribution of PCl, and SPCZ, free ligands o n their complexation