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Thermochemistry of Small Organosulfur Compounds from ab Initio Calculations

✍ Scribed by Gomes, José R. B.; Ribeiro da Silva, Manuel A. V.


Book ID
124080329
Publisher
American Chemical Society
Year
2004
Tongue
English
Weight
165 KB
Volume
108
Category
Article
ISSN
1089-5639

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A group 01 small minimal GTO basis sc~5 was lested for a set or molecules containing first-and second-row transition metal atoms. The resul& are more uniform in quality Lhan Lhose obtained by the use 01 the STOJG basis sek.