Name
Title | ||
|---|---|---|
Program for assigning molecular orbitals to irreducible representations of symmetry groups |
Abstract | ||
|---|---|---|
Using geometric data and eigenvectors and eigenvalues by quantum chemistry programs the procedure presented detemines the symmetry group of the molecule and assigns molecular orbitals to irreducible representations of the symmetry group. |
Year | DOI | Venue |
|---|---|---|
1985 | 10.1016/0097-8485(85)80003-6 | Computers & Chemistry |
Keywords | Field | DocType |
molecular orbital,symmetry group,irreducible representation | Molecular orbital,Representation theory of SU,Geometric data analysis,Symmetry group,Molecule,Pure mathematics,Irreducible representation,Eigenvalues and eigenvectors,Mathematics,Quantum chemistry | Journal |
Volume | Issue | ISSN |
9 | 3 | 0097-8485 |
Citations | PageRank | References |
0 | 0.34 | 0 |
Authors | ||
2 | ||
Name | Order | Citations | PageRank |
|---|---|---|---|
| Gy. Dömötör | 1 | 0 | 1.01 |
| M.I. Bán | 2 | 5 | 3.38 |