Zobrazeno 1 - 10
of 987
pro vyhledávání: '"Radom L"'
Publikováno v:
Proceedings of the Royal Society of London. Series A, Mathematical and Physical Sciences, 1975 Apr . 343(1632), 11-16.
Externí odkaz:
https://www.jstor.org/stable/78936
Publikováno v:
Proceedings of the Royal Society of London. Series A, Mathematical and Physical Sciences, 1975 Apr . 343(1632), 1-10.
Externí odkaz:
https://www.jstor.org/stable/78935
Autor:
Scott, A.P, Radom, L *
Publikováno v:
In Journal of Molecular Structure 12 December 2000 556(1-3):253-261
Akademický článek
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Publikováno v:
Journal of the American Chemical Society
J.Am.Chem.Soc.
J.Am.Chem.Soc.
High-level ab initio molecular orbital calculations have been carried out for the phenyl cation (1), the phenyl radical (2), and the phenyl anion (3). Our best estimate for the heat of formation (Delta H-f298) Of the phenyl radical is 340 kJ mol(-1),
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::43222459caf3cdaed6b7bfdb91db2078
https://doi.org/10.1021/ja970808s
https://doi.org/10.1021/ja970808s
Autor:
Nicolaïdes, Andrew N., Radom, L.
Publikováno v:
Journal of the American Chemical Society
J.Am.Chem.Soc.
J.Am.Chem.Soc.
High-level ab initio calculations on silatropylium (1-Si) and silabenzyl (2-Si) cations and seven of their low-lying isomers (3-8), as well as on their carbon analogues, tropylium (1-C) and benzyl (2-C) cations, are reported. Heats of formation have
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::a84693a17999d5845f1bf29c717839fc
https://doi.org/10.1021/ja9609664
https://doi.org/10.1021/ja9609664
Akademický článek
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Publikováno v:
Journal of the American Chemical Society
J.Am.Chem.Soc.
J.Am.Chem.Soc.
High level ab initio molecular orbital calculations have been used to examine the ring opening of the cyclopropylcarbinyl radical and its heterosubstituted analogues. The applicability of various theoretical techniques to this ring-opening reaction h
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::9a814b5739e99ca7b6648ccebea30ce3
https://www.bib.irb.hr/997326
https://www.bib.irb.hr/997326
Autor:
Nicolaïdes, Andrew N., Radom, L.
Publikováno v:
Journal of the American Chemical Society
J.Am.Chem.Soc.
J.Am.Chem.Soc.
Ab initio calculations at the G2(MP2,SVP) level predict that there is a striking transition from a preference for classical isomers on the C7H7+ surface to a preference for nonclassical isomers on the C6H7Ge+ surface. The situation for C6H7Si+ is int
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::c88bfc84a8a8c9aa1dc79124e62eb5fa
http://gnosis.library.ucy.ac.cy/handle/7/55902
http://gnosis.library.ucy.ac.cy/handle/7/55902
Publikováno v:
Journal of Physical Chemistry
J.Phys.Chem.
J.Phys.Chem.
The translation of G2, G2(MP2), and G2(MP2,SVP) total energies to heats of formation via atomization and formation reaction procedures is evaluated. While both approaches give similar results, the former is shown to perform somewhat better, especiall
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=od______4485::844f63ddf2b6cad578bc12db5392bc77
http://gnosis.library.ucy.ac.cy/handle/7/55908
http://gnosis.library.ucy.ac.cy/handle/7/55908