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An ab Initio Study of the Structure and Properties of Aluminum Hydroxide: Gibbsite and Bayerite

✍ Scribed by Gale, Julian D.; Rohl, Andrew L.; Milman, Victor; Warren, Michele C.


Book ID
121380697
Publisher
American Chemical Society
Year
2001
Tongue
English
Weight
113 KB
Volume
105
Category
Article
ISSN
0022-3654

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An ab initio study of diazirine: equilib
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The equilibrium structure and two important molecular properties, the dipole moment and the nuclear quadrupole coupling constants, of diazirine have been investigated theoretically at high level of theory. Very accurate results, which can be favourably compared to the experiment, are presented. As f