Release of atomic coordinates
β Scribed by Eaton E. Lattman
- Publisher
- John Wiley and Sons
- Year
- 1998
- Tongue
- English
- Weight
- 15 KB
- Volume
- 33
- Category
- Article
- ISSN
- 0887-3585
No coin nor oath required. For personal study only.
π SIMILAR VOLUMES
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
## 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
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
## 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
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