๐”– Bobbio Scriptorium
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Nonempirical calculation of the hydrogen, nitrogen, and oxygen molecules in the field of a strong point charge

โœ Scribed by A. I. Gerasimchuk; D. A. Zhogolev


Book ID
112362606
Publisher
Springer
Year
1977
Tongue
English
Weight
435 KB
Volume
13
Category
Article
ISSN
0040-5760

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The CHARGE2 program for the calculation of partial atomic charges has been amended to include bond parameters for a number of organic functional groups, including halogens, nitrogen and oxygen. These minor amendments to the original scheme produce dipole moments for the fluoro and chloro compounds w