A robust algorithm to locate automatically all types of critical points in the charge density and its Laplacian
- 1 September 1994
- journal article
- Published by Elsevier in Chemical Physics Letters
- Vol. 228 (1-3) , 160-164
- https://doi.org/10.1016/0009-2614(94)00897-3
Abstract
No abstract availableKeywords
This publication has 12 references indexed in Scilit:
- A new robust algorithm for fully automated determination of attractor interaction lines in moleculesChemical Physics Letters, 1994
- The existence of an intramolecular CHO hydrogen bond in creatine and carbamoyl sarcosineChemical Physics Letters, 1992
- An analysis of the hydrogen bond in BASE-HF complexes using the theory of atoms in moleculesMolecular Physics, 1988
- A physical basis for the VSEPR model of molecular geometryJournal of the American Chemical Society, 1988
- Theoretical analysis of hydrocarbon properties. 1. Bonds, structures, charge concentrations, and charge relaxationsJournal of the American Chemical Society, 1987
- An algorithm for the location of transition statesJournal of Computational Chemistry, 1986
- A bond-length-bond-order relationship for intermolecular interactions based on the topological properties of molecular charge distributionsChemical Physics Letters, 1985
- Atoms in moleculesAccounts of Chemical Research, 1985
- Walking on potential energy surfacesThe Journal of Physical Chemistry, 1983
- On finding transition statesThe Journal of Chemical Physics, 1981