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Department of Chemistry

 

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  • Currently displaying 1 - 20 of 21 publications
Assessing the Extent of I-Electron Delocalization in Naphtho-Annelated Fluoranthenes by Means of Topological Ring-Currents
TK Dickens, RB Mallion, S Radenković
– J Phys Chem A
(2019)
123,
1445
Topological Ring-Currents and Clar Sextets in Fully Benzenoid Hydrocarbons. II. Large Structures Containing More than 18 Rings.
TK Dickens, RB Mallion
– J Phys Chem A
(2018)
122,
8865
Topological Ring-Currents and Clar Sextets in Fully Benzenoid Hydrocarbons I. Structures with Fewer than 18 Rings
TK Dickens, RB Mallion
– J Phys Chem A
(2018)
122,
8858
Topological Ring Currents and Bond Currents in Some Neutral and Anionic Altans and Iterated Altans of Corannulene and Coronene.
TK Dickens, RB Mallion
– The journal of physical chemistry. A
(2018)
122,
7666
Ring-current properties of bispentalenes and related structures - Comparison of Ab initio and Hückel-London-Pople-McWeeny (HLPM) 'topological' calculations
TK Dickens, RB Mallion
– Croatica Chemica Acta
(2017)
90,
369
Topological Ring-Currents in Conjugated Systems
TK Dickens, RB Mallion
– MATCH Commun. Math. Comput. Chem.
(2016)
76,
295
Comparisons of π-Electron Ring-Current and Bond-Current Patterns Calculated by Topological (‘HLPM’) and Ab Initio (‘Ipso-Centric’) Formalisms for Two Isomeric Conjugated Hydrocarbons, Corazulene and Cornaphthalene
TK Dickens, RB Mallion
– Croatica Chemica Acta
(2015)
88,
221
Topological Ring-Current and Bond-Current Properties of theAltansof CertainK-Factorizable Conjugated Systems Containing “Fixed” Single-Bonds
TK Dickens, RB Mallion
– Journal of Physical Chemistry A
(2015)
119,
5019
Topological ring-currents and bond-currents in the altan-[r,s]-coronenes
TK Dickens, RB Mallion
– Chemical communications (Cambridge, England)
(2015)
51,
1819
Ring-Current Assessment of the Annulene-Within-an-Annulene Model for some Large Coupled Super-Ring Conjugated-Systems
TK Dickens, RB Mallion
– Croatica Chemica Acta
(2014)
87,
221
π-Electron ring-currents and bond-currents in some conjugated altan-structures.
TK Dickens, RB Mallion
– Journal of Physical Chemistry A
(2014)
118,
3688
Topological Hückel-London-Pople-McWeeny ring currents and bond currents in altan -corannulene and altan -coronene
TK Dickens, RB Mallion
– The Journal of Physical Chemistry A
(2014)
118,
933
An Analysis of Topological Ring-Currents and their Use in Assessing the Annulene-Within-an-Annulene Model for Super-Ring Conjugated Systems
TK Dickens, RB Mallion
– Croatica Chemica Acta
(2013)
86,
387
π-Electron ring-currents and bond-currents in [10,5]-Coronene and related structures conforming to the ‘Annulene-Within-an-Annulene’ model
TK Dickens, RB Mallion
– Phys Chem Chem Phys
(2013)
15,
8245
The regular [ r , s ]-Coronenes and the ‘Annulene-Within-an-Annulene’ rule
TK Dickens, RB Mallion
– RSC Advances
(2013)
3,
15585
Topological ring-currents and bond-currents in some nonalternant isomers of coronene
TK Dickens, RB Mallion
– J Phys Chem A
(2011)
115,
13877
Topological Ring Currents in the “Empty” Ring of Benzo-Annelated Perylenes
TK Dickens, RB Mallion
– The Journal of Physical Chemistry A
(2011)
115,
351
Some Comments on Topological Approaches to the π-Electron Currents in Conjugated Systems
TK Dickens, JANF Gomes, RB Mallion
– Journal of chemical theory and computation
(2011)
7,
3661
Topological ring-current assessment of the 'annulene-within-an-annulene' model in [N]-circulenes and some structures related to kekulene
TK Dickens, RB Mallion
– Chemical Physics Letters
(2011)
517,
98
Ring Currents and the PCP Rule
AT Balaban, TK Dickens, I Gutman, RB Mallion
– Croatica Chemica Acta
(2010)
83,
209