Zobrazeno 1 - 10
of 324
pro vyhledávání: '"Bernard Pullman"'
Publikováno v:
International Journal of Quantum Chemistry. 18:39-66
A method of NMR spectroscopy which involves the computation of magnetic shielding constants from xyz coordinates, taking into consideration the contribution to shielding from ring current fields, the diamagnetic and paramagnetic components of the ato
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::60372314a414deeb73a8ab0e1853607f
https://doi.org/10.1002/qua.560180705
https://doi.org/10.1002/qua.560180705
Autor:
Bernard Pullman, Alberte Pullman
Publikováno v:
International Journal of Quantum Chemistry. 18:245-259
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::b72fd4f3fdf0a86195ecf86536ad755a
https://doi.org/10.1002/qua.560180724
https://doi.org/10.1002/qua.560180724
Autor:
Bernard Pullman
Publikováno v:
International Journal of Quantum Chemistry. 30:95-105
Although a number of quinones represent important antitumor drugs, the role of the quinone ring in this activity does not seem to be established. Active quinones are relatively large molecules which either possess a large quinoid system, in particula
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::eb309e5e97129415705e7c288b2cd1bd
https://doi.org/10.1002/qua.560300811
https://doi.org/10.1002/qua.560300811
Autor:
Bernard Pullman, Richard Lavery
Publikováno v:
International Journal of Quantum Chemistry. 16:467-474
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::d2b99ca853a1e122aa80cd08218bf1ae
https://doi.org/10.1002/qua.560160732
https://doi.org/10.1002/qua.560160732
Publikováno v:
International Journal of Quantum Chemistry. 16:459-466
On the basis of several parameters calculated quantum chemically an explanation is proposed for the relative reactivity of a range of aldehydes toward acid catalyzed hydration. In particular the biochemically interesting species of glyoxal and methyl
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::14aa1953fe5ee870bbc72e924295920d
https://doi.org/10.1002/qua.560160731
https://doi.org/10.1002/qua.560160731
Autor:
Nohad Gresh, Bernard Pullman
Publikováno v:
International Journal of Quantum Chemistry. 28:49-56
The selective binding of alkali and ammonium cations to the internal cavity formed by two coaxially stacked guanine tetramers is studied by performing theoretical computations of the intermolecular interaction energies of the cations with the tetrame
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::4f8254a06d35ed9fed47d340f5c81b4b
https://doi.org/10.1002/qua.560280707
https://doi.org/10.1002/qua.560280707
Publikováno v:
International Journal of Quantum Chemistry. 16:491-501
The magnetic shielding constants of. carbon 13 and hydrogen nuclei of the dimethylphosphate anion are calculated for the gauche-gauche and gauche-trans conformations of the molecule as a function of the rotational angles about the PO and CO bonds. Th
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::efbb57005e02b7cf60b42f8a7f6f16ae
https://doi.org/10.1002/qua.560160735
https://doi.org/10.1002/qua.560160735
Autor:
Bernard Pullman
Publikováno v:
International Journal of Quantum Chemistry. 16:33-45
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::7e044531c592cc29e3af2df70ae37b9c
https://doi.org/10.1002/qua.560160702
https://doi.org/10.1002/qua.560160702
Publikováno v:
ResearcherID
The effect on the electrostatic potential of double-helical DNA of binding sodium ions to its phosphate groups is investigated for the different polymorphic forms: A, B, alternating B, C, D, ZI, and ZII. The differing impacts of this screening as a f
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::0f80de1c50fbcc7653e4cf379b613d28
https://doi.org/10.1002/qua.560220711
https://doi.org/10.1002/qua.560220711
Publikováno v:
International Journal of Quantum Chemistry. 16:353-363
The overlap multipole expansion procedure is ptilized for the evaluation of the electrostatic molecular potential of poly(dC·dC) and poly(dA·dT). lt is shown that the two sequences of base pairs produce different effects in the significant regions
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::1bf6a19897c93b0226bf3b60b24c5225
https://doi.org/10.1002/qua.560160723
https://doi.org/10.1002/qua.560160723