✦ LIBER ✦

Use of projection operators for numbering atoms and investigating symmetry properties of molecular structures

✍ Scribed by I. V. Stankevich; M. I. Skvortsova; O. B. Tomilin; N. S. Zefirov

Publisher: SP MAIK Nauka/Interperiodica
Year: 1992
Tongue: English
Weight: 575 KB
Volume: 33
Category: Article
ISSN: 0022-4766
DOI: 10.1007/bf00748053

No coin nor oath required. For personal study only.

📜 SIMILAR VOLUMES

Treatment of symmetry in MO calculations

Treatment of symmetry in MO calculations. II. Numerical projection operators for molecular orbitals

✍ H. H. Jaffé 📂 Article 📅 1988 🏛 John Wiley and Sons 🌐 English ⚖ 404 KB

This article describes the numerical application of projection operators to restore the symmetry of molecular orbitals in self-consistent field (SCF) calculations when the symmetry is lost because of degeneracy or near degeneracy. The application of projection operators is particularly useful in cas

On the use of the character projection o

On the use of the character projection operator in the determination of the symmetry of molecular orbitals and in the construction of hybrid bond orbitals

✍ Zelek S. Herman 📂 Article 📅 1997 🏛 John Wiley and Sons 🌐 English ⚖ 177 KB 👁 2 views

The utility of the character projection operator in determining the symmetry of molecular orbitals and in the construction of hybrid bond orbitals is discussed. Examples from the author's work are mentioned. These are topics which this author discussed in detail with Jean-Louis Calais during the pas

Determination of optimal number of proje

Determination of optimal number of projections and parametric sensitivity analysis of operators for parallel-ray transmission tomography using hybrid continuous genetic algorithm

✍ Shahzad Ahmad Qureshi; Sikander M. Mirza; M. Arif 📂 Article 📅 2007 🏛 John Wiley and Sons 🌐 English ⚖ 341 KB

## Abstract In this work, a hybrid continuous genetic algorithm (HCGA) based methodology has been developed for optimization of number of projections for parallel‐ray transmission tomography. The HCGA calculations with filtered back‐projection (FBP) utilize 8 bits for both head and lung phantoms. T

The electronic structure and properties

The electronic structure and properties of matter: An introductory study of certain properties of matter in the light of atomic numbers. Being Vol. 1 of a comprehensive treatise of atomic and molecular structure. By C. H. Douglas clark, M.Sc. Pp. xxv + 373. London: Chapman & Hall, 1934. 21s.

✍ Bates, L. F. 📂 Article 📅 1934 🏛 Wiley (John Wiley & Sons) ⚖ 251 KB

of the wceds for whicli cnclt srtl~stariec is particulnrly toxic nntl nctiinl esnniplcs nntl figures showing thc efficiency of cncli sul)stnncc. Linlc acts hy virtnc of ncut.mlizing soil acidity ; sulpltnte of nrninonin is probnldy tAic best substnncc for pt!nc!rnl nsc ; sulplturic ncid is part icii

The electronic structure and properties

The electronic structure and properties of matter, an introductory study of certain properties of matter in the light of atomic numbers, being volume I of a comprehensive treatise of atomic and molecular structure: by C. H. Douglas Clark, M.Sc. 374 pages, tables, illustrations, 14 × 22 cms. New York, John Wiley and Sons, Inc. 1934. Price $5.50

✍ H.R. Oppermann 📂 Article 📅 1935 🏛 Elsevier Science 🌐 English ⚖ 65 KB

Crystals of phospholipid analogues as pl

Crystals of phospholipid analogues as plausible material for molecular electronics. I: Synthesis and investigation of the structure and physical properties of two halogen hydride derivatives of isobutyl-2-aminoethyl phosphate—phosphatidylethanolamine analogues

✍ V. A. Karasev; N. A. Korovnikova; Y. P. Miroshkin; V. V. Luchinin; V. S. Fundame 📂 Article 📅 1996 🏛 John Wiley and Sons 🌐 English ⚖ 963 KB

Synthesis and investigation of the structure and electrophysical properties of two halogen hydride derivatives of isobutyl analogues of phosphatidylethanol amine (IPE), namely IPE-HCI and IPE-HBr, were performed to offer a new material for 'molecular wires' according to the model of molecular electr