Zobrazeno 1 - 10
of 48
pro vyhledávání: '"Tadamichi Fukunaga"'
Publikováno v:
Journal of the American Chemical Society. 108(9)
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::9a1911e7a0b6afd8cb48da8722aa3fe3
https://pubmed.ncbi.nlm.nih.gov/22175610
https://pubmed.ncbi.nlm.nih.gov/22175610
Publikováno v:
The Journal of Physical Chemistry. 96:10747-10756
Addition to C 60 has been predicted to occur at the 1,2- and 1,4-positions of a cyclohexatriene moiety. The geometric and electronic structures of 1,2- and 1,4-C 60 X 2n 's (X=H, F, Cl, Br and I; n=1, 2, 4, 6, 8, 10, 12, 18, 24, and 30) were calculat
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::81271e5127eb56bf06b8e773a8a11553
https://doi.org/10.1021/j100205a031
https://doi.org/10.1021/j100205a031
Publikováno v:
The Journal of Physical Chemistry. 96:7594-7604
This report calculates the electronic structure of all possible C{sub 60}H{sub 2} isomers in the singlet state with hydrogens external to the surface using the PM-3 parameterization of the MNDO hamiltonian. Electronic properties such as dipole moment
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::d1b84f7bfb6836cb69a7bebb4a040f32
https://doi.org/10.1021/j100198a021
https://doi.org/10.1021/j100198a021
Publikováno v:
The Journal of Physical Chemistry. 96:6107-6110
The authors report on calculational studies of the energetics of adding atoms to the structure of C{sub 60}. They consider in particular the structures 1,7- and 1,9-C{sub 60}X{sub 2}, where X represents H, F, Cl, Br, or I. Their calculations show tha
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::bd3d994ec209a1a9d5278e199afefc7a
https://doi.org/10.1021/j100194a001
https://doi.org/10.1021/j100194a001
Publikováno v:
Journal of the American Chemical Society. 113:3236-3246
One-dimensional TOCSY and 1D NOESY experiments using Gaussian-shaped pulses as well as 2D NOESY and 2D ROESY measurements were carried out to obtain informations for primary and secondary structural characterizations. These techniques combined with 1
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::23e76160e3a61e0b23dab80e6f624592
https://doi.org/10.1021/ja00009a004
https://doi.org/10.1021/ja00009a004
Publikováno v:
The Journal of Organic Chemistry. 53:5714-5720
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::7623ab5a08b723af8f2fe6e5621802e2
https://doi.org/10.1021/jo00259a020
https://doi.org/10.1021/jo00259a020
Publikováno v:
Journal of Physical Organic Chemistry. 1:153-160
The structures of the allyl anion (1) and two fluoro-substituted derivatives, perfluoro (2) and 1,1-difluoro (3) have been calculated by ab inito molecular orbital theory. Geometries were gradient optimized, and force fields and an MP-2 correlation c
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::2e3bb559ec14208679ade9732acfc8ef
https://doi.org/10.1002/poc.610010305
https://doi.org/10.1002/poc.610010305
Autor:
Tadamichi Fukunaga, Robert A. Clement
Publikováno v:
The Journal of Organic Chemistry. 42:270-275
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::4595fb5d4fe17ba91f59f449674a53e9
https://doi.org/10.1021/jo00422a022
https://doi.org/10.1021/jo00422a022
Autor:
Tadamichi Fukunaga, Robert W. Begland
Publikováno v:
The Journal of Organic Chemistry. 49:813-821
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::1a94a2de28240f03ce013a9d2eba11b7
https://doi.org/10.1021/jo00179a013
https://doi.org/10.1021/jo00179a013
Publikováno v:
Journal of the American Chemical Society. 105:933-943
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::8465690a072c4a1724b722ddcb4559bb
https://doi.org/10.1021/ja00342a049
https://doi.org/10.1021/ja00342a049