Zobrazeno 1 - 6
of 6
pro vyhledávání: '"E.Jean Jacob"'
Publikováno v:
Journal of Computational Chemistry. 12:126-134
Higher ionization energies were calculated with PM3, AM1, and MNDO for three series of molecules, representative small molecules, molecules containing heteroatoms, and sterically congested alkenes. Values from PM3, AM1, and MNDO were compared to expe
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::6b76bb9cf407d27a02fef9f3fbf6390a
https://doi.org/10.1002/jcc.540120114
https://doi.org/10.1002/jcc.540120114
Autor:
E.Jean Jacob
Publikováno v:
Journal of Molecular Structure. 52:63-69
Structure parameters for bromochlorofluoromethane, HCBrClF, were determined from gas phase electron diffraction intensities. Little useful information concerning the position of the hydrogen atom was obtained. The main carbon—halogen parameters, in
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::410a68672bfc37560be3e34afd61422d
https://doi.org/10.1016/0022-2860(79)80095-2
https://doi.org/10.1016/0022-2860(79)80095-2
Publikováno v:
Journal of Molecular Structure. 62:143-155
Gas-phase electron diffraction structures have been determined for phosphoryl bromide (OPBr3 thiophosphoryl bromide (SPBr3Normal coordinate analyses were carried out for the two molecules using a valence force field, and the resulting amplitude terms
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::5ba85a7c9c41ba27ada46d06f1561261
https://doi.org/10.1016/0022-2860(80)85232-x
https://doi.org/10.1016/0022-2860(80)85232-x
Autor:
Svein Samdal, E.Jean Jacob
Publikováno v:
Journal of the American Chemical Society. 99:5656-5663
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::39d6f027fb0fa6c1fb39bb4c50f2c486
https://doi.org/10.1021/ja00459a022
https://doi.org/10.1021/ja00459a022
Autor:
H. Bradford Thompson, E.Jean Jacob
Publikováno v:
Journal of Molecular Structure. 12:298-301
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::7966e3224f363996f9cff9d1a6ea95dd
https://doi.org/10.1016/0022-2860(72)85045-2
https://doi.org/10.1016/0022-2860(72)85045-2
Autor:
James E. Gano, E.Jean Jacob
Publikováno v:
Spectrochimica Acta Part A: Molecular Spectroscopy. 43:1023-1025
Asymmetric stretching frequencies of disubstituted ketenes gave a good correlation to substituent constants with the newly parameterized Swain-Lupton equation. Frequencies were predicted for unknown ketenes.
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::50c9caa5f6552de5e66d30db5f7a4f23
https://doi.org/10.1016/0584-8539(87)80174-5
https://doi.org/10.1016/0584-8539(87)80174-5