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Department of Chemistry

 

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  • Currently displaying 1 - 20 of 22 publications
Assessing the Extent of pi-Electron Delocalization in Naphtho-Annelated Fluoranthenes by Means of Topological Ring-Currents
TK Dickens, RB Mallion, S Radenković
– The Journal of Physical Chemistry A
(2019)
123,
1445
Some Observations on Triplet Ground-States in the Context of ‘Topological’ (HLPM) Ring-Currents in Conjugated Systems
TK Dickens, RB Mallion
– Croatica Chemica Acta
(2019)
92,
1
Topological Ring-Currents and Clar Sextets in Fully Benzenoid Hydrocarbons. II. Large Structures Containing More than 18 Rings.
TK Dickens, RB Mallion
– The Journal of Physical Chemistry A: Isolated Molecules, Clusters, Radicals, and Ions; Environmental Chemistry, Geochemistry, and Astrochemistry; Theory
(2018)
122,
8865
Topological Ring-Currents and Clar Sextets in Fully Benzenoid Hydrocarbons I. Structures with Fewer than 18 Rings
TK Dickens, RB Mallion
– The Journal of Physical Chemistry 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: Isolated Molecules, Clusters, Radicals, and Ions; Environmental Chemistry, Geochemistry, and Astrochemistry; Theory
(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
(2016)
76,
297
Comparisons of pi-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 the altans of certain K-factorizable conjugated systems containing "fixed" single-bonds
TK Dickens, RB Mallion
– J Phys Chem A
(2015)
119,
5019
Topological ring-currents and bond-currents in the altan-[r,s]-coronenes.
TK Dickens, RB Mallion
– Chem Commun (Camb)
(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
– The 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
– Physical Chemistry Chemical Physics
(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
– The journal of physical chemistry. 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
– J Chem Theory Comput
(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