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Identification of Active Molecular Sites Using Quantum-Self-Similarity Measures

✍ Scribed by Amat, L.; Besalu, E.; Carbo-Dorca, R.; Ponec, R.

Book ID
127290760
Publisher
American Chemical Society
Year
2001
Tongue
English
Weight
374 KB
Volume
41
Category
Article
ISSN
0095-2338

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πŸ“œ SIMILAR VOLUMES

ChemInform Abstract: Identification of A
ChemInform Abstract: Identification of Active Molecular Sites Using Quantum-Self-Similarity Measures.
✍ Lluis Amat; Emili Besalu; Ramon Carbo-Dorca; Robert Ponec πŸ“‚ Article πŸ“… 2010 πŸ› John Wiley and Sons βš– 24 KB πŸ‘ 1 views

## Abstract ChemInform is a weekly Abstracting Service, delivering concise information at a glance that was extracted from about 100 leading journals. To access a ChemInform Abstract of an article which was published elsewhere, please select a β€œFull Text” option. The original article is trackable v

The use of ab initio quantum molecular s
The use of ab initio quantum molecular self-similarity measures to analyze electronic charge density distributions
✍ Miquel SolΓ ; Jordi Mestres; Josep M. Oliva; Miquel Duran; Ramon CarbΓ³ πŸ“‚ Article πŸ“… 1998 πŸ› John Wiley and Sons 🌐 English βš– 975 KB

Exact quantum molecular overlaplike and Coulomb-like self-similarity measures are studied in a selected series of molecules with the same number of electrons. It is found that quantum molecular overlap self-similarity measures can be used to estimate the concentration of electronic charge in molecul