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- Currently displaying 1 - 20 of 26 publications
Topological Ring Currents and Bond Currents in Neutral and Dianionic Altans and Iterated Altans of Benzene, Naphthalene, and Azulene.
– Journal of Physical Chemistry A
(2021)
125,
10485
(doi: 10.1021/acs.jpca.1c07846)
Calculated Magnetic Properties of a Recently Synthesized Corannulene-Dibenzobistetracene Hybrid
– The Journal of organic chemistry
(2021)
86,
17404
(doi: 10.1021/acs.joc.1c01836)
Topological Ring-Currents and Bond-Currents in Hexaanionic Altans and Iterated Altans of Corannulene and Coronene.
– The Journal of Physical Chemistry A
(2020)
124,
7973
(doi: 10.1021/acs.jpca.0c04606)
Postscript on Viable Ground-States for Calculating Topological π-Electron Ring-Currents Using the Huckel-London-Pople-McWeeny Model
– Croatica Chemica Acta
(2020)
93,
321
(doi: 10.5562/CCA3786)
Assessing the Extent of π‑Electron Delocalization in Naphtho-Annelated Fluoranthenes by Means of Topological Ring-Currents
– The Journal of Physical Chemistry A: Isolated Molecules, Clusters, Radicals, and Ions; Environmental Chemistry, Geochemistry, and Astrochemistry; Theory
(2019)
123,
1445
(doi: 10.1021/acs.jpca.8b12068)
Some Observations on Triplet Ground-States in the Context of ‘Topological’ (HLPM) Ring-Currents in Conjugated Systems
– Croatica chemica acta
(2019)
92,
1
(doi: 10.5562/cca3538)
Topological Ring-Currents and Clar Sextets in Fully Benzenoid Hydrocarbons. II. Large Structures Containing More than 18 Rings
– The Journal of Physical Chemistry A
(2018)
122,
8865
(doi: 10.1021/acs.jpca.8b08723)
Topological Ring-Currents and Clar Sextets in Fully Benzenoid Hydrocarbons I. Structures with Fewer than 18 Rings.
– J Phys Chem A
(2018)
122,
8858
(doi: 10.1021/acs.jpca.8b08722)
Topological Ring Currents and Bond Currents in Some Neutral and Anionic Altans and Iterated Altans of Corannulene and Coronene.
– The journal of physical chemistry. A
(2018)
122,
7666
(doi: 10.1021/acs.jpca.8b06862)
Ring-Current Properties of Bispentalenes and Related Structures — Comparison of Ab Initio and Hückel-London-Pople-McWeeny (HLPM) ‘Topological’ Calculations
– Croatica Chemica Acta
(2017)
90,
369
(doi: 10.5562/cca3219)
Topological ring-currents in conjugated systems
– MATCH Commun. Math. Comput. Chem.
(2016)
76,
295
Topological Ring-Current and Bond-Current Properties of the Altans of Certain K-Factorizable Conjugated Systems Containing “Fixed” Single-Bonds
– The journal of physical chemistry. A
(2015)
119,
5019
(doi: 10.1021/acs.jpca.5b02826)
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
– Croatica Chemica Acta
(2015)
88,
221
(doi: 10.5562/cca2622)
Topological ring-currents and bond-currents in the altan-[r,s]-coronenes.
– Chemical communications (Cambridge, England)
(2015)
51,
1819
(doi: 10.1039/c4cc07322c)
π-Electron ring-currents and bond-currents in some conjugated altan-structures.
– J Phys Chem A
(2014)
118,
3688
(doi: 10.1021/jp502585f)
Topological Hückel–London–Pople–McWeeny Ring Currents and Bond Currents in altan-Corannulene and altan-Coronene
– Journal of Physical Chemistry A
(2014)
118,
933
(doi: 10.1021/jp411524k)
Ring-current assessment of the Annulene-Within-an-Annulene model for some large coupled super-ring conjugated-systems
– Croatica Chemica Acta
(2014)
87,
221
(doi: 10.5562/cca2397)
An Analysis of Topological Ring-Currents and their Use in Assessing the Annulene-Within-an-Annulene Model for Super-Ring Conjugated Systems
– Croatica Chemica Acta
(2013)
86,
387
(doi: 10.5562/cca2291)
The regular [r, s]-Coronenes and the 'Annulene-Within-an-Annulene' rule
– RSC Advances
(2013)
3,
15585
(doi: 10.1039/c3ra42913j)
π-Electron ring-currents and bond-currents in [10,5]-Coronene and related structures conforming to the 'Annulene-Within-an-Annulene' model
– Physical chemistry chemical physics : PCCP
(2013)
15,
8245
(doi: 10.1039/c3cp00053b)
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