| 书目名称 | Multiple Bonds |
| 编辑 | P. v. Rague Schleyer |
| 视频video | |
| 概述 | Includes supplementary material: |
| 丛书名称 | Landolt-Börnstein: Numerical Data and Functional Relationships in Science and Technology - New Serie |
| 图书封面 |  |
| 描述 | Quantum chemical computations now provide a viablealternative to experimental methods for the determination ofaccurate structures ofpolyatomic molecules. All possiblecombinations of a set of chemicalelements can be computedsystematically at uniform level of theory (hereMP2/6-31G**has been employed throughout). These good quality geometrieswill suffice for many purposes, and can be used as startingpoints for experimental structural refinements or furtherabinitio geometry computations at higher theoretical levels.Thispresent first subvolume surveys molecules with multiplebonds comprised ofthe chemical elements from the threefirst periods. The metallic elements are included as well. Avisual representation of each molecule with the bondlengthsand bond angles is presented in parallel to the coordinates,thelatter are also on a floppy disk included in thehandbook for ease of the user. |
| 出版日期 | Book 1993Latest edition |
| 关键词 | Atom; experiment; metals; molecule; quality; structure |
| 版次 | 1 |
| doi | https://doi.org/10.1007/b48045 |
| isbn_ebook | 978-3-540-47525-5Series ISSN 1615-1844 Series E-ISSN 1616-9522 |
| issn_series | 1615-1844 |
| copyright | Springer-Verlag Berlin Heidelberg 1993 |
发表于 2025-3-21 16:07:43
