Structures of the Ca@C82 isomers: a theoretical prediction
- 1 August 1997
- journal article
- Published by Elsevier in Chemical Physics Letters
- Vol. 274 (1-3) , 226-230
- https://doi.org/10.1016/s0009-2614(97)00647-7
Abstract
No abstract availableKeywords
This publication has 26 references indexed in Scilit:
- Production and Isolation of Ca@C82 (I−IV) and Ca@C84 (I,II) MetallofullerenesJournal of the American Chemical Society, 1996
- A Cycloaddition Model for Fullerene FormationThe Journal of Physical Chemistry, 1996
- 13C-NMR Study on the Structure of Isolated Sc2@C84 MetallofullereneJournal of the American Chemical Society, 1996
- Motion of Scandium Ions in Sc2C84 Observed by 45Sc Solution NMRThe Journal of Physical Chemistry, 1996
- Synthesis of the First Adducts of the Dimetallofullerenes La2@C80 and Sc2@C84 by Addition of a DisiliraneAngewandte Chemie International Edition in English, 1995
- Preparation and Extraction of Ca@C60Chemistry Letters, 1995
- Density-functional exchange-energy approximation with correct asymptotic behaviorPhysical Review A, 1988
- Development of the Colle-Salvetti correlation-energy formula into a functional of the electron densityPhysical Review B, 1988
- Density-functional approximation for the correlation energy of the inhomogeneous electron gasPhysical Review B, 1986
- Ab initio effective core potentials for molecular calculations. Potentials for K to Au including the outermost core orbitalsThe Journal of Chemical Physics, 1985