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Vapor Pressure of Solid 1,4-Dithiane

✍ Scribed by Williams, Barry R.; Butrow, Ann B.; Samuels, Alan C.; Miles, Ronald W.; Hulet, Melissa


Book ID
121080300
Publisher
American Chemical Society
Year
2009
Tongue
English
Weight
123 KB
Volume
54
Category
Article
ISSN
0021-9568

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## Abstract __Ab initio__ molecular orbital theory with the 6‐31G(d), 6‐31G(d,p), 6‐31+G(d), 6‐31+G(d,p), 6‐31+G(2d,p), 6‐311G(d), 6‐311G(d,p), and 6‐311+G(2d,p) basis sets and density functional theory (BLYP, B3LYP, B3P86, B3PW91) have been used to locate transition states involved in the conforma