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Release of atomic coordinates

✍ Scribed by Eaton E. Lattman


Publisher
John Wiley and Sons
Year
1998
Tongue
English
Weight
15 KB
Volume
33
Category
Article
ISSN
0887-3585

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Evaluation of relativistic atomic integr
✍ E. Ley-Koo; C. F. Bunge; R. JΓ‘uregui πŸ“‚ Article πŸ“… 1997 πŸ› John Wiley and Sons 🌐 English βš– 121 KB πŸ‘ 1 views

Calais and Lowdin developed a simple method using the interelectronic distance as an Γ―ntegration variable to treat two-electron integrals occurring in correlated nonrelativistic atomic calculations. This contribution merges their method with a related one to further evaluate two-body integrals occur

Release Studies of Atomic Technetium
✍ F. Ames; Dr. H.-J. Kluge; Dr. E.-W. Otten; Dr. B. M. Suri; Dr. A. Venugopalan; D πŸ“‚ Article πŸ“… 1991 πŸ› John Wiley and Sons 🌐 English βš– 771 KB

## Den Annalen der Physik zum 200. Geb.urtstag gewidmet A b s t r a c t . Application of a laser ion source (LIS) is a promising new technique for trace analysis with high efficiency and selectivity. One of the problems which can limit its efficiency attained in practice is the adsorption of sampl

Automatic generation of 3D-atomic coordi
✍ J. Gasteiger; C. Rudolph; J. Sadowski πŸ“‚ Article πŸ“… 1990 πŸ› Elsevier Science βš– 598 KB

A system has been developed that can automatically generate three-dimensional atomic coordinates from the constitution of a molecule as expressed by a connection table. The program, CORINA, is applicable to the entire range of organic chemistry. It can also handle structures that are beyond the scop

Atomic integral containing three odd pow
✍ A.H. Moussa; H.M.A. Radi πŸ“‚ Article πŸ“… 1973 πŸ› Elsevier Science 🌐 English βš– 327 KB

## Nature of physical problem The subroutine ATOMINT evaluates an atomic integral, Catalogue number: ACRO containing 3 odd powers of interelectronic separation coor-Program obtainable from: CPC Program Library, Queen's dinates, which appears in bound state variational calculations University of Be

Computer approaches to protein structure
✍ Andrew M. Tometsko πŸ“‚ Article πŸ“… 1971 πŸ› Elsevier Science 🌐 English βš– 521 KB

The study of polypeptide and protein structure with computer-generated molecular models provides numerous advantages over conventional framework molecular models. One notable advantage is the dynamic nature of the computer model. Computer programs, discussed in this report, transform the coordinates