Topological ring-currents in condensed benzenoid hydrocarbons
Summary: Topological ring-currents are defined as being pi-electron ring-current intensities in condensed, benzenoid hydrocarbons that (i) are calculated by the simplest Hückel-London-Pople-McWeeny method, (ii) are based on a molecular geometry of regular hexagons of carbon atoms, and (iii) are expr...
| Permalink: | http://skupni.nsk.hr/Record/nsk.NSK01000717340/Details |
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| Matična publikacija: |
Croatica chemica acta 81 (2008), 2 ; str. 227-246 |
| Glavni autor: | Mallion, Roger B. (-) |
| Vrsta građe: | Članak |
| Jezik: | eng |
| Predmet: | |
| Online pristup: |
CROATICA CHEMICA ACTA |
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| 008 | 091026s2008 ci ||| ||eng | ||
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| 041 | 0 | |a eng |b hrv | |
| 042 | |a croatica | ||
| 080 | |a 54 |2 MRF 1998. | ||
| 080 | |a 51 |2 MRF 1998. | ||
| 100 | 1 | |a Mallion, Roger B. | |
| 245 | 1 | 0 | |a Topological ring-currents in condensed benzenoid hydrocarbons / |c R. [Roger] B. Mallion. |
| 300 | |b Ilustr. | ||
| 500 | |a 22nd Dubrovnik International Course & Conference MATH / CHEM / COMP 2007, Dubrovnik, June 11–16, 2007 | ||
| 504 | |a Bibliografija: 81 jed. | ||
| 504 | |a Sažetak | ||
| 520 | 8 | |a Summary: Topological ring-currents are defined as being pi-electron ring-current intensities in condensed, benzenoid hydrocarbons that (i) are calculated by the simplest Hückel-London-Pople-McWeeny method, (ii) are based on a molecular geometry of regular hexagons of carbon atoms, and (iii) are expressed as a ratio to the corresponding ring-current intensity calculated, by the same method, for benzene. Once a particular benzenoid hydrocarbon has been specified, such topological ring-currents are predetermined and do not further depend on any subjective (or other) parameters; they are, therefore, purely graph-theoretical indices, reliant solely on knowledge of a vertex-adjacency matrix for the graph representing the connectivity of the carbon atoms in the benzenoid molecule under study. For convenient reference, tables of all known topological ring-current intensities – some published, and others so-far unpublished – are presented for future evaluation and possible comparison with other graph-theoretical indices that characterise the individual rings of a condensed, benzenoid hydrocarbon | |
| 653 | 0 | |a Topološke struje prstena |a Benzenoidni ugljikovodici |a Teorija grafova |a Kemijski grafovi | |
| 773 | 0 | |t Croatica chemica acta |x 0011-1643 |g 81 (2008), 2 ; str. 227-246 |w nsk.(HR-ZaNSK)000001621 | |
| 981 | |b B10/08 |p CRO | ||
| 998 | |a rado091026 |c vol2o120829 | ||
| 856 | 4 | 2 | |u http://public.carnet.hr/ccacaa/ |y CROATICA CHEMICA ACTA |