Multiple bonds

F. Hampel ; edited by P. v. R. Schleyer

Quantum chemical computations now provide a viable alternative to experimental methods for the determination of accurate structures of polyatomic molecules. All possible combinations of a set of chemical elements can be computed systematically at a uniform level of theory. These geometries will suffice for many purposes, and can be used as starting points for experimental structural refinements or further ab initio geometry computations at higher theoretical levels. This subvolume surveys molecules with multiple bonds comprised of the chemical elements from the three first periods. The metallic elements are included as well. A visual representation of each molecule with the bond lengths and bond angles is presented in parallel to the co-ordinates, the latter on diskette.

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書名 Multiple bonds
著作者等 Hampel, Frank
Schleyer, Paul von R.
Ahmad Viqar Uddin
Basha Anwer
Hampel Frank R.
Schleyer P. V.
Ragueschleyer Paulv
シリーズ名 Landolt-Börnstein Zahlenwerte und Funktionen aus Naturwissenschaften und Technik, Neue Serie
出版元 Springer
刊行年月 c1993
ページ数 193 p., ill.
大きさ H156 x W234
付随資料 1 floppy disk
ISBN 0387563318
ISSN 09426787
NCID BA21582688
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言語 英語
出版国 ドイツ