Hückel Molecular Orbitals HMO by Edgar Heilbronner, Walther Straub PDF

By Edgar Heilbronner, Walther Straub

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217717 Eigenwerte und Hückelkoeffizienten 4 5 6 7 8 9 10 1. 322253 1. 499967 0 10 1 2 3 4 5 6 7 8 9 10 TOTALE PI -1. 11451? 06574? OO~971. 012701 '1 0 0 0 1 0 10 1 1 1 1 1 6 1 / 1 8 1 9 1 10 2 3 ? 066803 0 -. 024671 -. 1? 09"040 J J -. 089530 0 0 0 0 0 0 Bindungs- Bindungs Polarisierbarkeiten 1 10 1 10 2 3 2 ? 18~32? 09139. 156616 -. 0056U. 148946 2 ~ 6 8 10 ~1 Eigenwerte und Hückelkoeffizienten 1 2 3 4 5 6 7 8 9 10 11 4 5 6 7 8 9 10 11 TOTAL< Pi 1. 052973 0 10 11 1. OO497? 02523. 383452 -. J~tl4jlj ....

39 Aethylen 1 Eigenwerte und Hückelkoeffizienten TOTALE PI 1. 000000 -1. 000000 1. 500000 Bindungs- Bindungs Polarisierbarkeiten 1 1 2 2 2 Propenyl-Radi kai Eigenwerte und Hückelkoeffizienten rOT ALE P[ 1. 353553 3 2 3 ,-176777 o ,353,,53 Butadien K~ Eigenwerte und Hückelkoeffizienten TOTALE PI 1. 894427 1. 447214 1. 134164 0 0 0 n ". 732051 1. 500000 . 28867 • 1. 788675 1. 464102 E~ERGtE allgemeine Bindungsordnungen 1. 788675 4 5 o 1. 279236 Hexatrien Eigenwerte und Hückelkoeffizienten TOTALE PI 1.

0056U. 148946 2 ~ 6 8 10 ~1 Eigenwerte und Hückelkoeffizienten 1 2 3 4 5 6 7 8 9 10 11 4 5 6 7 8 9 10 11 TOTAL< Pi 1. 052973 0 10 11 1. OO497? 02523. 383452 -. J~tl4jlj .... 060678 ,0>075. Eigenwerte und Hückelkoeffizienten 1. 497021 -1. 260098 .... 26009t) .... 162279 .. 009951 0 1. 50275, 0 1. 044428 -. 949656 1. 565665 1. 165993 -. 15867. 116310 1. 368488 -. /50491 allgemeine Bindungsordnungen 1. 31780.

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