𝔖 Bobbio Scriptorium
✦   LIBER   ✦

Geometry-dependent connectivity indices for the characterization of molecular structures

✍ Scribed by K. Balasubramanian


Publisher
Elsevier Science
Year
1995
Tongue
English
Weight
514 KB
Volume
235
Category
Article
ISSN
0009-2614

No coin nor oath required. For personal study only.

✦ Synopsis


Geometry-dependent connectivity indices are proposed based on the Euclidian connectivity distances between the nuclei for characterizing the molecular structures. It is shown that these indices are directly related to the compactness of molecules in the three-dimensional space and thus these indices differentiate structures which otherwise may not be differentiated by graph-theoretical indices as exemplified with chrysene and benzo(c)phenamhrene.


📜 SIMILAR VOLUMES


Theoretical characterization of transiti
✍ J. Andrés; V. Moliner; V. S. Safont 📂 Article 📅 1996 🏛 John Wiley and Sons 🌐 English ⚖ 680 KB

A theoretical study of the catalytic mechanism of lactate dehydrogenase enzyme on different model systems was carried out with the help of the PM3 semi-empirical procedure and an ab initio method at the 4-31G and 6-31G\*\* basis sets at a Hartree-Fock (HF) level of theory. The geometry, transition

Structure biodistribution relationship o
✍ Garo P. Basmadjian; Stanley L. Mills; Mangesh Kanvinde; Nareg P. Basmadjian 📂 Article 📅 1990 🏛 John Wiley and Sons 🌐 French ⚖ 528 KB

## Abstract Three iodinated analogs of cocaine were synthesized and radiolabeled by isotope exchange in the presence of Cu^++^ using a “kit” procedure. 2′‐Iodococaine,2′‐iodotropacocaine and 2′‐iodobenzoyl tropine radiolabeled with ^125^I were injected in mice and their biodistribution studied. Act

Automated Raman Spectroscopy as a Tool f
✍ Claus Gabriel; Dieter Lilge; Marc O. Kristen 📂 Article 📅 2003 🏛 John Wiley and Sons 🌐 English ⚖ 115 KB

## Abstract Raman spectroscopy, which does not require a time‐consuming sample preparation, is described as an analytical tool for the high‐throughput characterization of polyethylenes. The content of comonomer and the amount of methyl groups per 1 000 carbon atoms of polyethylenes can be predicted

Is the Trigonal Prismatic Distortion the
✍ Luminita Silaghi-Dumitrescu; Ion Silaghi-Dumitrescu; Ionel Haiduc; Rubén-Alfredo 📂 Article 📅 1999 🏛 John Wiley and Sons 🌐 German ⚖ 112 KB 👁 1 views

The distortion from the octahedral geometry is discussed for Indium(III) 1,1-dithio complexes (dithiophosph(in)ates, dithiocarbamates, dithioarsinates) and isostructural chromium(III) compounds in relation with the bite of the ligands, the S ´´´S repulsion within the four members rings and S ´´´S in