Zobrazeno 1 - 10
of 52
pro vyhledávání: '"G. VINCOW"'
Autor:
G. Vincow, J. G. Concepcion
Publikováno v:
The Journal of Physical Chemistry. 80:857-861
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::89e5235b388e70b461504e88543d1c1c
https://doi.org/10.1021/j100549a019
https://doi.org/10.1021/j100549a019
Publikováno v:
The Journal of Chemical Physics. 52:5596-5606
Nonempirical calculations for methyl radical (CH3·) in a pyramidal configuration (C3υ) were performed using two minimum basis sets of Slater‐type orbitals, one in which orbital exponents were chosen according to Slater's rules (unoptimized) and t
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::4b2acdf68b302f8eee092e91781b42b4
https://doi.org/10.1063/1.1672830
https://doi.org/10.1063/1.1672830
Autor:
G. Vincow, G. S. Owen
Publikováno v:
The Journal of Chemical Physics. 54:368-375
Computer simulation of ESR spectra in polycrystalline environments is extended to the case of free radicals in which the unpaired spin is extensively delocalized. An approximate model is proposed for the anisotropic effects (g tensor, dipolar hyperfi
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::2f8a65f418158d06ec3488fccada53a0
https://doi.org/10.1063/1.1674618
https://doi.org/10.1063/1.1674618
Publikováno v:
The Journal of Chemical Physics. 49:529-540
Using first‐order perturbation theory, a general equation is derived for the Fermi contact hyperfine splittings of any free radical. This equation is essentially the same as that obtained previously by other workers, but restrictions concerning (1)
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::1ea633a458823fb36d933a58c9c6dc65
https://doi.org/10.1063/1.1670107
https://doi.org/10.1063/1.1670107
Publikováno v:
The Journal of Chemical Physics. 52:1740-1754
Nonempirical calculations of the ground‐state electronic wavefunction, energy, and proton and carbon‐13 contact hyperfine splittings of methyl radical in its planar configuration are performed using the spin‐restricted SCF method and configurat
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::8f5a84b047b11e9b63708a95092f8ca8
https://doi.org/10.1063/1.1673213
https://doi.org/10.1063/1.1673213
Publikováno v:
The Journal of Chemical Physics. 54:3005-3013
It is shown that applying an electron–nuclear cusp constraint to a CI wavefunction is equivalent to omitting from the basis set a particular linear combination of atomic orbitals. This result is exploited in constructing cusp‐constrained wavefunc
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::388cf53e7e775f3ea19642c9f04d15fd
https://doi.org/10.1063/1.1675285
https://doi.org/10.1063/1.1675285
Publikováno v:
The Journal of Chemical Physics. 54:4121-4123
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::61220578938a9cb3be577c93ccda5aec
https://doi.org/10.1063/1.1675476
https://doi.org/10.1063/1.1675476
Publikováno v:
Physical Review. 122:1390-1392
The paramagnetic resonance spectra of Nd/sup 3//sup +/ and U/sup 3//sup +/ in the cubic field of CaF/sub 2/ are investigated at 3-cm wavelength at 20 deg K. ln the case of Nd/sup 3//sup +/, transitions within the lowest quartet GAMMA /sub 8/ and poss
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::ea167e7e2f026a287864c0755ee0683d
https://doi.org/10.1103/physrev.122.1390
https://doi.org/10.1103/physrev.122.1390
Autor:
G. Vincow, J. G. Concepcion
Publikováno v:
Chemischer Informationsdienst. 7
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::94af26404890f99c67c597f97cf616d4
https://doi.org/10.1002/chin.197626064
https://doi.org/10.1002/chin.197626064
Publikováno v:
Chemischer Informationsdienst. 9
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::9588157e0482976b69a66043d582f1a8
https://doi.org/10.1002/chin.197841051
https://doi.org/10.1002/chin.197841051