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The Simulated ah Initio Molecular Orbital (SAMO) Method. A Study of the Linear Metallic Hydrogen Chain

B. J. Duke ; Department of Chemistry, University of Papua New Guinea, Box 320, University PO, Papua New Guinea
Brian O'Leary ; Department of Chemistry, University of Alabama in Birmingham, Birmingham, Alabama 35294

Puni tekst: engleski, pdf (3 MB) str. 539-546 preuzimanja: 68* citiraj
APA 6th Edition
Duke, B.J. i O'Leary, B. (1986). The Simulated ah Initio Molecular Orbital (SAMO) Method. A Study of the Linear Metallic Hydrogen Chain. Croatica Chemica Acta, 59 (3), 539-546. Preuzeto s https://hrcak.srce.hr/177285
MLA 8th Edition
Duke, B. J. i Brian O'Leary. "The Simulated ah Initio Molecular Orbital (SAMO) Method. A Study of the Linear Metallic Hydrogen Chain." Croatica Chemica Acta, vol. 59, br. 3, 1986, str. 539-546. https://hrcak.srce.hr/177285. Citirano 21.09.2020.
Chicago 17th Edition
Duke, B. J. i Brian O'Leary. "The Simulated ah Initio Molecular Orbital (SAMO) Method. A Study of the Linear Metallic Hydrogen Chain." Croatica Chemica Acta 59, br. 3 (1986): 539-546. https://hrcak.srce.hr/177285
Harvard
Duke, B.J., i O'Leary, B. (1986). 'The Simulated ah Initio Molecular Orbital (SAMO) Method. A Study of the Linear Metallic Hydrogen Chain', Croatica Chemica Acta, 59(3), str. 539-546. Preuzeto s: https://hrcak.srce.hr/177285 (Datum pristupa: 21.09.2020.)
Vancouver
Duke BJ, O'Leary B. The Simulated ah Initio Molecular Orbital (SAMO) Method. A Study of the Linear Metallic Hydrogen Chain. Croatica Chemica Acta [Internet]. 1986 [pristupljeno 21.09.2020.];59(3):539-546. Dostupno na: https://hrcak.srce.hr/177285
IEEE
B.J. Duke i B. O'Leary, "The Simulated ah Initio Molecular Orbital (SAMO) Method. A Study of the Linear Metallic Hydrogen Chain", Croatica Chemica Acta, vol.59, br. 3, str. 539-546, 1986. [Online]. Dostupno na: https://hrcak.srce.hr/177285. [Citirano: 21.09.2020.]

Sažetak
The simulated ab initio molecular orbital (SAMO) crystal orbital method has been used to study an infinite linear equidistant chain of hydrogen atoms. Results obtained using a pattern molecule of 50 hydrogen atoms have been compared with results obtained from truncating this pattern and from the use of smaller non-truncated pattern molecules.

Hrčak ID: 177285

URI
https://hrcak.srce.hr/177285

Posjeta: 130 *