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Croatica Chemica Acta, Vol.77 No.1-2 Svibanj 2004.

Izvorni znanstveni članak

Global Molecular Identification from Graphs. IV. Molecules with Four Closed p-Shell Atoms and beyond

Chris J. Walters ; Southern Adventist University, Collegedale, TN 37315, USA
Ken Caviness ; Southern Adventist University, Collegedale, TN 37315, USA
Ray A. Hefferlin ; Southern Adventist University, Collegedale, TN 37315, USA

Puni tekst: engleski, pdf (636 KB) str. 65-71 preuzimanja: 161* citiraj
APA 6th Edition
J. Walters, C., Caviness, K. i A. Hefferlin, R. (2004). Global Molecular Identification from Graphs. IV. Molecules with Four Closed p-Shell Atoms and beyond. Croatica Chemica Acta, 77 (1-2), 65-71. Preuzeto s https://hrcak.srce.hr/102647
MLA 8th Edition
J. Walters, Chris, et al. "Global Molecular Identification from Graphs. IV. Molecules with Four Closed p-Shell Atoms and beyond." Croatica Chemica Acta, vol. 77, br. 1-2, 2004, str. 65-71. https://hrcak.srce.hr/102647. Citirano 20.06.2018.
Chicago 17th Edition
J. Walters, Chris, Ken Caviness i Ray A. Hefferlin. "Global Molecular Identification from Graphs. IV. Molecules with Four Closed p-Shell Atoms and beyond." Croatica Chemica Acta 77, br. 1-2 (2004): 65-71. https://hrcak.srce.hr/102647

Sažetak
The identification of main-group molecules having atoms with closed valence p shells, i.e., having atoms with eight valence electrons, is continued into the realm of four-atom molecules. All possible covalently-bonded species, obtained from two independent computer programs, are shown. The method for generalizing to molecules in which some or all atoms have closed valence s shells, i.e., having atoms with two valence electrons, is recalled. A list of all prototype linear/bent four-atom molecules, with dative bonds in addition to covalent and/or van der Waals bonds, is presented (permutations having been culled out). A program code, lists of molecules based on other graphs, and lists of five- and covalently-bonded six-atom species, are available on the Web. For molecules derived from the two other four-vertex graphs, their vast numbers require extensive indexing schemes for the results to be useful. The paper concludes with some preliminary observations concerning the stabilities of four-atom molecules having atoms with closed shells.

Ključne riječi
molecules with closed-shell atoms; stoichiometric molecules; octet rule; Lewis diagrams; bonding; data mining; graphs; chemical space

Hrčak ID: 102647

URI
https://hrcak.srce.hr/102647

Posjeta: 240 *