Die Berechnung von Molekülstrukturen durch eine Kombination von Dichtefunktional‐ und Moleküldynamikmethoden
- 1 June 1991
- journal article
- aufsatz
- Published by Wiley in Angewandte Chemie
- Vol. 103 (6) , 647-657
- https://doi.org/10.1002/ange.19911030605
Abstract
No abstract availableKeywords
This publication has 58 references indexed in Scilit:
- Molecular dynamics for chemically bonded systemsJournal of Physics: Condensed Matter, 1990
- Structural, Dymanical, and Electronic Properties of Amorphous Silicon: Anab initioMolecular-Dynamics StudyPhysical Review Letters, 1988
- Compound clustersThe European Physical Journal D, 1986
- Adiabatic-connection approach to Kohn-Sham theoryPhysical Review A, 1984
- Hartree-Fock-Roothaan wavefunctions for diatomic moleculesAtomic Data and Nuclear Data Tables, 1974
- Catalysis of symmetry-restricted reactions by transition metal compounds. Valence isomerization of cubaneJournal of the American Chemical Society, 1970
- Über Struktur und Eigenschaften der Halbmetalle. XXII. Die Kristallstruktur des Hittorfschen PhosphorsActa Crystallographica Section B: Structural Science, Crystal Engineering and Materials, 1969
- Interchalcogen compounds—I: The sulphur-selenium systemJournal of Inorganic and Nuclear Chemistry, 1967
- The Cubane SystemJournal of the American Chemical Society, 1964
- A Simplification of the Hartree-Fock MethodPhysical Review B, 1951