Zobrazeno 1 - 5
of 5
pro vyhledávání: '"Craig P. Baskin"'
Publikováno v:
Yarkony, David R.; O'Neil, Stephen V.; Schaefer, Henry F.; Baskin, Craig P.; & Bender, Charles F.(1973). INTERACTION POTENTIAL BETWEEN TWO RIGID HF MOLECULES. Lawrence Berkeley National Laboratory: Lawrence Berkeley National Laboratory. Retrieved from: http://www.escholarship.org/uc/item/94d25176
As a prelude to the study of energy transfer in the HF–HF system, the potential energy surface for the interaction of two rigid HF molecules has been calculated within the ab initio self‐consistent‐field framework. An H(4s 1p/2s 1p), F(9s 5p 1d
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::075dd02446ddf450b349886f66883965
https://doi.org/10.1063/1.1681161
https://doi.org/10.1063/1.1681161
Publikováno v:
Journal of the American Chemical Society. 96:2709-2713
A nonempirical quantum mechanical study of the reaction of triplet methylene with molecular hydrogen has been carried out. A contracted Gaussian basis set of double zeta quality was employed. Following the determination of each self-consistent-field
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::7ed378059400113cfc58bc342ee3c3a2
https://doi.org/10.1021/ja00816a008
https://doi.org/10.1021/ja00816a008
Publikováno v:
The Journal of Organic Chemistry. 44:1567-1569
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::e428991c6535ebcf6e83758f75223536
https://doi.org/10.1021/jo01323a045
https://doi.org/10.1021/jo01323a045
Autor:
C. W. Jun. Bauschlicher, Craig P. Baskin, H. F. Iii Schaefer, Charles F. Bender, Robert R. Lucchese
Publikováno v:
Chemischer Informationsdienst. 7
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::e9c44c5d424ae0d2804bb1e909d4f431
https://doi.org/10.1002/chin.197624056
https://doi.org/10.1002/chin.197624056
Autor:
Henry F. Schaefer, Charles F. Bender, Stephen V. O'Neil, Craig P. Baskin, Gretchen M. Schwenzer
Publikováno v:
Schwenzer, Gretchen M.; O'Neil, Stephen V.; Schaefer, Henry F.; Baskin, Craig P.; & Bender, Charles F.(1973). GEOMETRIES OF THE EXCITED ELECTRONIC STATES OF HCN. Lawrence Berkeley National Laboratory: Lawrence Berkeley National Laboratory. Retrieved from: http://www.escholarship.org/uc/item/4gx6717x
Ab initio quantum mechanical electronic structure calculations have been carried out for the ground state and 12 low‐lying (< 10 eV) excited states of HCN. A contracted Gaussian basis set of essentially double zeta quality was employed. A new theor
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::01bf312bbf52f0906b7f62f4f20de05e
http://www.escholarship.org/uc/item/4gx6717x
http://www.escholarship.org/uc/item/4gx6717x
