𝔖 Bobbio Scriptorium
✦   LIBER   ✦

A new index for molecular property correlation in halomethanes

✍ Scribed by S. Bhattacharjee; A.S. Rao; P. Dasgupta

Publisher
Elsevier Science
Year
1991
Tongue
English
Weight
281 KB
Volume
15
Category
Article
ISSN
0097-8485

No coin nor oath required. For personal study only.

📜 SIMILAR VOLUMES

HSQC–ADEQUATE correlation: a new paradig
HSQC–ADEQUATE correlation: a new paradigm for establishing a molecular skeleton
✍ Gary E. Martin; Bruce D. Hilton; Kirill A. Blinov 📂 Article 📅 2011 🏛 John Wiley and Sons 🌐 English ⚖ 265 KB

## Abstract Various experimental methods have been developed to unequivocally identify vicinal neighbor carbon atoms. Variants of the HMBC experiment intended for this purpose have included 2J3J‐HMBC and H2BC. The 1,1‐ADEQUATE experiment, in contrast, was developed to accomplish the same goal but r

A New Topological Index for Molecular Pr
A New Topological Index for Molecular Probes Used in Inverse Gas Chromatography
✍ Eric Brendlé; Eugène Papirer 📂 Article 📅 1997 🏛 Elsevier Science 🌐 English ⚖ 160 KB

evaluation of the potential of a solid surface to exchange The application of the new morphological index x T , which is specific interactions, one obviously will inject polar probes an extension of Wiener's index for the evaluation of the retention that will interact with a polar solid surface both

Transfer of molecular property tensors i
Transfer of molecular property tensors in cartesian coordinates: A new algorithm for simulation of vibrational spectra
✍ Bou?, Petr; Sopkov�, Jana; Bedn�rov�, Lucie; Malo?, Petr; Keiderling, Timothy A. 📂 Article 📅 1997 🏛 John Wiley and Sons 🌐 English ⚖ 226 KB 👁 1 views

## Ž . A direct transfer of Cartesian molecular force fields FF and electric property tensors is tested on model systems and compared to transfer in internal coordinates with an aim to improve simulation of vibrational spectra for larger molecules. This Cartesian transformation can be implemented