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Theoretical Studies of Ground and Excited Electronic States in a Series of Halide Rhenium(I) Bipyridine Complexes

โœ Scribed by Yang, Li; Ren, Ai-Min; Feng, Ji-Kang; Liu, Xiao-Juan; Ma, Yu-Guang; Zhang, Ming; Liu, Xiao-Dong; Shen, Jia-Cong; Zhang, Hong-Xing


Book ID
120521870
Publisher
American Chemical Society
Year
2004
Tongue
English
Weight
222 KB
Volume
108
Category
Article
ISSN
1089-5639

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Electronic structure of molecular comple
โœ J. Lipinski ๐Ÿ“‚ Article ๐Ÿ“… 1979 ๐Ÿ› Elsevier Science โš– 361 KB

Using a recently modified INDO method the equilibrium intermolecular distance and heats of formation of various types of molecular complexes (CT, HB, CTTS, etc.) have been calculated. The results obtained are in reasonable agreement with available ab initio studies.