Isomers of C20. Dramatic effect of gradient corrections in density functional theory

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Bibliographic Details
Published inChemical physics letters Vol. 214; no. 3-4; pp. 357 - 361
Main Authors KRISHNAN RAGHAVACHARI, STROUT, D. L, ODOM, G. K, SCUSERIA, G. E, POPLE, J. A, JOHNSON, B. G, GILL, P. M. W
Format Journal Article
LanguageEnglish
Published Amsterdam Elsevier Science 05.11.1993
Subjects
Atomic and molecular clusters
Atomic and molecular physics
Exact sciences and technology
Physics
Studies of special atoms, molecules and their ions; clusters
Inorganic compounds
Density functional
Molecular structure
Bond angle
Theoretical study
Fullerenes
Carbon molecules
Isomers
Bond lengths
Atomic clusters
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ISSN:0009-2614
1873-4448
DOI:10.1016/0009-2614(93)85650-D