Zobrazeno 1 - 10
of 27
pro vyhledávání: '"Chesnyi, A."'
Publikováno v:
Theoretica Chimica Acta; Jul1982, Vol. 61 Issue 4, p369-377, 9p
Publikováno v:
Theoretical & Experimental Chemistry; May1983, Vol. 19 Issue 3, p250-255, 6p
Autor:
Chesnyi, A., Topol', I.
Publikováno v:
Theoretical & Experimental Chemistry; May1981, Vol. 17 Issue 3, p238-244, 7p
Publikováno v:
Theoretical & Experimental Chemistry; Mar1980, Vol. 16 Issue 2, p125-134, 10p
Publikováno v:
Chemical Physics. 53:63-69
The electron absorption spectra of the WOCl4, WSCl4 and WOBr4 molecules have been measured. Using the SCF-Xα scattered-wave method in the approximation of overlapping atomic spheres, calculations are made on the electronic structure, ionization pote
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::89d57595fa8fa33826956df5854d974a
https://doi.org/10.1016/0301-0104(80)87053-4
https://doi.org/10.1016/0301-0104(80)87053-4
Publikováno v:
Theoretical and Experimental Chemistry. 19:250-255
Molybdenum and tungsten form two series of volatile oxohalides: MOX4 and MO2X2. We have previously examined [i, 2] the electronic structures and spectra of MoOCI4, WOCI4 and WOBr~. Here the SCF X~ SW method is used to calculate the energy spectrum, s
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::08bb2ba0a0f42dad38afb4978cb1cc94
https://doi.org/10.1007/bf01146207
https://doi.org/10.1007/bf01146207
Publikováno v:
Journal of Structural Chemistry. 22:161-167
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::9ad7f4f24f715c12d6eb83ea423783cf
https://doi.org/10.1007/bf00745184
https://doi.org/10.1007/bf00745184
Autor:
A. S. Chesnyi, I. A. Topol
Publikováno v:
Theoretical and Experimental Chemistry. 17:238-244
These ETOS calculations for diatomic molecules show satisfactory agreement with experiment. In most cases the theory correctly predicts the relative transition intensities when the following conditions are met. 1. The energies of the singlet excitati
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::bbe1ef42638b6258d3df728c7be5bc75
https://doi.org/10.1007/bf00519490
https://doi.org/10.1007/bf00519490
Publikováno v:
Theoretica Chimica Acta. 61:369-377
The SCF-Xα-SW method in an overlapping atomic spheres approximation has been used to calculate the electronic structure, ionization potentials, energies and oscillator strengths of the allowed optical transitions and also some of the one-electron pr
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::f14a79e8c826ddb0c1cf8208e3bc3fd1
https://doi.org/10.1007/bf00550415
https://doi.org/10.1007/bf00550415
Publikováno v:
Chemical Physics. 49:107-115
Some one-electron properties of LiH, BH, CO. LiF, NaF, KF and RbF are calculated within the framework of the overlapping atomic sphere model, using wavefunctions of the SCF-Xα scattered-wave method. The influence of the functional form of the wavefu
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::95e41c2604c0b24bd52cc87308737642
https://doi.org/10.1016/0301-0104(80)85044-0
https://doi.org/10.1016/0301-0104(80)85044-0