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Volumn 13, Issue 4, 2007, Pages 1309-1319

Synthetic, structural, and theoretical investigations of alkali metal germanium hydrides - Contact molecules and separated ions

Author keywords

Alkali metals; Density functional calculations; Germanium; Hydrides; Structure elucidation

Indexed keywords

CROWN ETHERS; GERMANIUM COMPOUNDS; HYDRIDES; IONS; MOLECULAR DYNAMICS; PROBABILITY DENSITY FUNCTION; X RAY CRYSTALLOGRAPHY;

EID: 33846622851     PISSN: 09476539     EISSN: 15213765     Source Type: Journal    
DOI: 10.1002/chem.200601073     Document Type: Article
Times cited : (5)

References (53)
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    • The B3LYP functional is the Becke three parameter hybrid method with LYP correlation functional, A. D. Becke, J. Chem. Phys. 1993, 98, 5648-5652.
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    • all other atoms: R. Krishnan, J. S. Binkley, R. Seeger, J. A. Pople, J. Chem. Phys. 1980, 72, 650-654.
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    • Basis sets were obtained from the Extensible Computational Chemistry Environment Basis Set Database, Version 02/25/04, as developed and distributed by the Molecular Science Computing Facility, Environmental and Molecular Sciences Laboratory which is part of the Pacific Northwest Laboratory, P. O. Box 999, Richland, Washington 99352, USA, and funded by the U. S. Department of Energy. The Pacific Northwest Laboratory is a multi-program laboratory operated by Battelle Memorial Institute for the U. S. Department of Energy under contract DE-AC06-76RLO 1830. Contact David Feller or Karen Schuchardt for further information
    • Basis sets were obtained from the Extensible Computational Chemistry Environment Basis Set Database, Version 02/25/04, as developed and distributed by the Molecular Science Computing Facility, Environmental and Molecular Sciences Laboratory which is part of the Pacific Northwest Laboratory, P. O. Box 999, Richland, Washington 99352, USA, and funded by the U. S. Department of Energy. The Pacific Northwest Laboratory is a multi-program laboratory operated by Battelle Memorial Institute for the U. S. Department of Energy under contract DE-AC06-76RLO 1830. Contact David Feller or Karen Schuchardt for further information.
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    • A recent review article describes this method as the most widely used for the preparation of organometallic compounds of the heavier alkali metals: D. J. Smith, Adv. Organomet. Chem. 1999, 43, 267
    • A recent review article describes this method as the most widely used for the preparation of organometallic compounds of the heavier alkali metals: D. J. Smith, Adv. Organomet. Chem. 1999, 43, 267.


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.