Macromolecular density matrices and electron densities with adjustable nuclear geometries
- 1 January 1995
- journal article
- Published by Springer Nature in Journal of Mathematical Chemistry
- Vol. 18 (2) , 141-168
- https://doi.org/10.1007/bf01164655
Abstract
No abstract availableKeywords
This publication has 33 references indexed in Scilit:
- Molecular Quantum Similarity: theoretical Framework, Ordering Principles, and Visualization TechniquesPublished by Elsevier ,1994
- Molecular quantum similarity measures and N‐dimensional representation of quantum objects. II. Practical applicationsInternational Journal of Quantum Chemistry, 1992
- Molecular quantum similarity measures and N‐dimensional representation of quantum objects. I. Theoretical foundationsInternational Journal of Quantum Chemistry, 1992
- Molsimil - 88: Molecular similarity calculations using a CNDO-like approximationComputer Physics Communications, 1989
- LCAO–MO similarity measures and taxonomyInternational Journal of Quantum Chemistry, 1987
- A semi-empirical method for calculating molecular similarityJournal of the Chemical Society, Chemical Communications, 1986
- How similar is a molecule to another? An electron density measure of similarity between two molecular structuresInternational Journal of Quantum Chemistry, 1980
- New Developments in Molecular Orbital TheoryReviews of Modern Physics, 1951
- N herungsmethode zur L sung des quantenmechanischen Mehrk rperproblemsThe European Physical Journal A, 1930
- The Wave Mechanics of an Atom with a Non-Coulomb Central Field. Part II. Some Results and DiscussionMathematical Proceedings of the Cambridge Philosophical Society, 1928