Zobrazeno 1 - 10
of 194
pro vyhledávání: '"K. Dickens"'
Autor:
Roger B. Mallion, Timothy K. Dickens
Publikováno v:
The Journal of Physical Chemistry A. 125:10485-10499
In previous studies, the Huckel-London-Pople-McWeeny (HLPM) method was used to calculate the "topological" ring currents and bond currents that are associated with the mono-altans, and the doubly and triply iterated altans, of corannulene and coronen
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::b947e56d782d19000bf1cc26d88a8d07
https://doi.org/10.1021/acs.jpca.1c07846
https://doi.org/10.1021/acs.jpca.1c07846
Autor:
T. K. Dickens, R. B. Mallion
Publikováno v:
Croatica Chemica Acta, Vol 88, Iss 3, Pp 221-225 (2015)
The π-electron ring-currents and bond-currents associated with the isomeric structures corazulene (1) and cornaphthalene (2) are calculated by means of the rudimentary topological Hückel–London–Pople–McWeeny (HLPM) method (which is entirely e
Externí odkaz:
https://doaj.org/article/4eeeb4945ba3461986f84937f6f3bb44
Autor:
Timothy K. Dickens, Roger B. Mallion
Publikováno v:
The Journal of Physical Chemistry A. 124:7973-7990
Previous studies of the Huckel-London-Pople-McWeeny (HLPM) ring-currents and bond-currents associated with the neutral and the dianionic altans, and iterated altans, of corannulene and coronene, are here extended to the hexaanions of (altan)n-corannu
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::3807d06a63373009ea78f3e6eef46604
https://doi.org/10.1021/acs.jpca.0c04606
https://doi.org/10.1021/acs.jpca.0c04606
Autor:
Timothy K, Dickens, Roger B, Mallion
Publikováno v:
The journal of physical chemistry. A. 125(48)
In previous studies, the Hückel-London-Pople-McWeeny (HLPM) method was used to calculate the "topological" ring currents and bond currents that are associated with the mono
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=pmid________::977a4a90cb5dd8c50221e834a27ff6c5
https://pubmed.ncbi.nlm.nih.gov/34843651
https://pubmed.ncbi.nlm.nih.gov/34843651
Publikováno v:
Journal of Insect Conservation. 23:707-728
The insect diversity of Paraguay remains poorly studied despite its position at the meeting point of some of South America’s most diverse biomes and has obscured the true level of diversity and conservation value of the species present. Here, we in
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::363a985ec868199e7fe626e80020263d
https://doi.org/10.1007/s10841-019-00165-7
https://doi.org/10.1007/s10841-019-00165-7
Autor:
Timothy K. Dickens, Roger B. Mallion
Publikováno v:
Croatica Chemica Acta
Volume 92
Issue 4
Volume 92
Issue 4
When the quasi graph-theoretical Hückel–London–Pople–McWeeny (HLPM) approach is used to calculate ‘topological’ π-electron ring-currents and bond-currents in conjugated hydrocarbons, a problem is identified that occurs whenever applicatio
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::d7fcbce4580d06a7d1e176300a5f7f97
https://doi.org/10.5562/cca3538
https://doi.org/10.5562/cca3538
Autor:
Chunxiao Zhou, Tara A Steplowski, Hallum K Dickens, Kimberly M Malloy, Paola A Gehrig, John F Boggess, Victoria L Bae-Jump
Publikováno v:
PLoS ONE, Vol 8, Iss 2, p e55730 (2013)
Given that prolonged exposure to estrogen and increased telomerase activity are associated with endometrial carcinogenesis, our objective was to evaluate the interaction between the MAPK pathway and estrogen induction of telomerase activity in endome
Externí odkaz:
https://doaj.org/article/11af4b136ceb46c09f1f83c666e0092c
Autor:
Roger B. Mallion, Timothy K. Dickens
Publikováno v:
Croatica Chemica Acta
Volume 93
Issue 4
Volume 93
Issue 4
Attention is drawn to the idea that, in the context of the Hückel–London–Pople–McWeeny (HLPM) approach to π-electron ring-currents, the basic Aufbau process can be mimicked by means of a graph-theoretical algorithm and that the outcome is det
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::642a94a3c11881871992d08d82f459ee
https://doi.org/10.5562/cca3786
https://doi.org/10.5562/cca3786
Autor:
Roger B. Mallion, Timothy K. Dickens
Publikováno v:
The Journal of Physical Chemistry A. 122:8865-8873
In previous work, π-electron ring currents in several fully benzenoid hydrocarbons were calculated by means of the quasi-graph-theoretical, parameter-free Hückel-London-Pople-McWeeny (HLPM) method. It was found that for fully benzenoid hydrocarbons
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::237254111c589935ed2c417c59512c85
https://doi.org/10.1021/acs.jpca.8b08723
https://doi.org/10.1021/acs.jpca.8b08723
Autor:
Roger B. Mallion, Timothy K. Dickens
Publikováno v:
The Journal of Physical Chemistry A. 122:8858-8864
It is well-known that the very special family of conjugated systems described as "fully benzenoid hydrocarbons" have a unique Clar structure that causes all of their rings to be classified as either "full" or "empty". In this work, π-electron ring-c
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::45a87b6f040c8ee725801986a49254f0
https://doi.org/10.1021/acs.jpca.8b08722
https://doi.org/10.1021/acs.jpca.8b08722