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Matter"},{"key":"ref12\/cit12","doi-asserted-by":"crossref","first-page":"15","DOI":"10.1016\/0927-0256(96)00008-0","volume":"6","author":"Kresse G.","year":"1996","journal-title":"Comput. Mater. Sci."},{"key":"ref13\/cit13","doi-asserted-by":"crossref","first-page":"11169","DOI":"10.1103\/PhysRevB.54.11169","volume":"54","author":"Kresse G.","year":"1996","journal-title":"Phys. Rev. B"},{"key":"ref14\/cit14","doi-asserted-by":"crossref","first-page":"1758","DOI":"10.1103\/PhysRevB.59.1758","volume":"59","author":"Kresse G.","year":"1999","journal-title":"Phys. Rev. B."},{"key":"ref15\/cit15","doi-asserted-by":"crossref","first-page":"17953","DOI":"10.1103\/PhysRevB.50.17953","volume":"50","author":"Bloechl P. E.","year":"1994","journal-title":"Phys. Rev. B"},{"key":"ref16\/cit16","doi-asserted-by":"crossref","first-page":"1758","DOI":"10.1103\/PhysRevB.59.1758","volume":"59","author":"Kresse G.","year":"1999","journal-title":"Phys. Rev. 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There are real problems with VASP projected DOS values not adding up to the total DOS."},{"key":"ref21\/cit21","doi-asserted-by":"crossref","DOI":"10.21236\/ADA196638","volume-title":"Solids and Surfaces: A Chemist\u2019s View of Bonding in Extended Structures","author":"Hoffmann R.","year":"1988"},{"key":"ref22\/cit22","doi-asserted-by":"crossref","first-page":"4175","DOI":"10.1021\/j100266a007","volume":"89","author":"Hoffmann R.","year":"1985","journal-title":"J. Phys. Chem."},{"key":"ref23\/cit23","volume-title":"The Chemistry of Phosphorus","author":"Emsley J.","year":"1976"},{"key":"ref24\/cit24","unstructured":"Pb\u2550Pb bonds aretrans-bent pyramidalized; the computations here are for both a planar andtrans-bent pyramidalized geometry."},{"key":"ref25\/cit25","doi-asserted-by":"crossref","first-page":"3463","DOI":"10.1021\/cr9408989","volume":"99","author":"Power P. P.","year":"1999","journal-title":"Chem. Rev."},{"key":"ref26\/cit26","doi-asserted-by":"crossref","first-page":"573","DOI":"10.1107\/S0567740879004180","volume":"35","author":"Kleiner N.","year":"1979","journal-title":"Acta Crystallogr. Sect. B"},{"key":"ref27\/cit27","doi-asserted-by":"crossref","first-page":"134","DOI":"10.1006\/jssc.2001.9141","volume":"159","author":"Kleinke H.","year":"2001","journal-title":"J. Solid State Chem."},{"key":"ref28\/cit28","doi-asserted-by":"crossref","first-page":"1334","DOI":"10.1021\/ic026098v","volume":"42","author":"Schwerdtfeger P.","year":"2003","journal-title":"Inorg. Chem."},{"key":"ref29\/cit29","doi-asserted-by":"crossref","first-page":"3593","DOI":"10.1021\/ic00343a057","volume":"29","author":"Schwerdtfeger P.","year":"1990","journal-title":"Inorg. Chem."},{"key":"ref30\/cit30","doi-asserted-by":"crossref","first-page":"2779","DOI":"10.1073\/pnas.0710500105","volume":"105","author":"Shapiro N. D.","year":"2008","journal-title":"Proc. Natl. Acad. Sci. 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Synth."},{"key":"ref35\/cit35","unstructured":"Note the difference in these curves for the Pb single and double bond models of the structures, inset in Figure5; the isolated line for Pb features some multiple bonding."},{"key":"ref36\/cit36","doi-asserted-by":"crossref","DOI":"10.1017\/CBO9780511628887","volume-title":"Molecular Clusters","author":"Fehlner T. P.","year":"2007"},{"key":"ref37\/cit37","unstructured":"We have found instances in elemental structures where variants of a structure are nearly equal (or possibly lower) in energy to the observed bulk structures (work to be reported elsewhere): not that they will be easy to make."},{"key":"ref38\/cit38","doi-asserted-by":"crossref","first-page":"115402","DOI":"10.1103\/PhysRevB.63.115402","volume":"63","author":"Dong Z. C.","year":"2001","journal-title":"Phys. Rev. B"},{"key":"ref39\/cit39","doi-asserted-by":"crossref","first-page":"16172","DOI":"10.1103\/PhysRevB.58.16172","volume":"58","author":"Gonzalez-Mendez M. E.","year":"1998","journal-title":"Phys. Rev. B"},{"key":"ref40\/cit40","doi-asserted-by":"crossref","first-page":"045405","DOI":"10.1103\/PhysRevB.72.045405","volume":"72","author":"Chan T.-L.","year":"2005","journal-title":"Phys. Rev. B"},{"key":"ref41\/cit41","first-page":"076802","volume":"100","author":"Tegenkamp C.","year":"2008","journal-title":"Phys. Rev. B"},{"key":"ref42\/cit42","doi-asserted-by":"crossref","first-page":"6681","DOI":"10.1002\/anie.200601726","volume":"45","author":"H\u00f6hn P.","year":"2006","journal-title":"Angew. Chem., Int. Ed."},{"key":"ref43\/cit43","unstructured":"The geometries of the channel are not changed, and theM\u2212Mdistance is held constant (Pb\u2212Pb = 3.20 \u00c5; Tl\u2212Tl = 3.19 \u00c5; Hg\u2212Hg = 3.16 \u00c5)."},{"key":"ref44\/cit44","doi-asserted-by":"crossref","first-page":"1","DOI":"10.1155\/2008\/249402","volume":"2008","author":"Hassan M.","year":"2008","journal-title":"Res. Lett. Phys."},{"key":"ref45\/cit45","doi-asserted-by":"crossref","first-page":"567","DOI":"10.1016\/S0261-3069(00)00023-6","volume":"21","author":"Choi B.","year":"2000","journal-title":"Mat. Des."},{"key":"ref46\/cit46","doi-asserted-by":"crossref","first-page":"2408","DOI":"10.1002\/1521-3773(20000717)39:14<2408::AID-ANIE2408>3.0.CO;2-U","volume":"39","author":"Papoian G. A.","year":"2000","journal-title":"Angew. Chem., Int. 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