Zobrazeno 1 - 10
of 1 044
pro vyhledávání: '"J. M. Schulman"'
Autor:
R. L. Disch, J. M. Schulman
Publikováno v:
ChemInform. 25
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::3c1d881d7546adfe6325c4f2d7ca58a0
https://doi.org/10.1002/chin.199410044
https://doi.org/10.1002/chin.199410044
Autor:
Allemann, Meret Sarah1,2 (AUTHOR), Lee, Pratintip1,2 (AUTHOR), Beer, Jürg H.1,2 (AUTHOR) hansjuerg.beer@ksb.ch, Saeedi Saravi, Seyed Soheil3 (AUTHOR) soheil.saeedi@uzh.ch
Publikováno v:
Aging Cell. Dec2023, Vol. 22 Issue 12, p1-30. 30p.
Autor:
Wu, Qiming1 (AUTHOR), Song, Wangze1 (AUTHOR) wzsong@dlut.edu.cn
Publikováno v:
European Journal of Organic Chemistry. 11/7/2023, Vol. 26 Issue 42, p1-5. 5p.
Publikováno v:
Chemical Communications; 1/4/2025, Vol. 61 Issue 1, p23-32, 10p
Publikováno v:
Green Chemistry; 11/21/2024, Vol. 26 Issue 22, p11083-11105, 23p
Autor:
Wu, Qian, Geng, Ziang, Lu, Jun, Wang, Shisong, Yu, Zhongxue, Wang, Siqi, Ren, Xiaolin, Guan, Shu, Liu, Tiancong, Zhu, Chen
Publikováno v:
Frontiers in Neuroscience; 2024, p1-19, 19p
Publikováno v:
The Journal of Chemical Physics. 46:2759-2764
A self‐consistent‐field calculation on ground‐state ethylene was performed using a large (sp) Gaussian basis. An upper bound to the Hartree—Fock energy and a lower bound to the correlation energy were obtained.A SCF study was made using sets
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::07d493c6584944e083ef3da3819b85b0
https://doi.org/10.1063/1.1841110
https://doi.org/10.1063/1.1841110
Autor:
J. M. Schulman, J. I. Musher
Publikováno v:
The Journal of Chemical Physics. 49:4845-4848
The hydrogen‐atom dipole polarizability α is obtained by a double perturbation expansion based on a Hartree–Fock H0. The expansion α = α0 + λα1 + λ2α2 + ···, where λ is the continuous parameter for the Hartree–Fock perturbing potenti
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::029478e1f3fe99b591260880eb897aff
https://doi.org/10.1063/1.1669968
https://doi.org/10.1063/1.1669968
Autor:
J. M. Schulman, Jules W. Moskowitz
Publikováno v:
The Journal of Chemical Physics. 47:3491-3495
Benzene ground and two pi ionized states, 2A2u and 2E1g, have been studied by the self‐consistent‐field method using contracted Gaussians as basis. Ionization potentials are assigned. A transfer of sigma charge density from hydrogen to carbon has
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::c6028967cbe73408531fb61a1c701868
https://doi.org/10.1063/1.1712415
https://doi.org/10.1063/1.1712415
Autor:
J. W. Moskowitz, J. M. Schulman
Publikováno v:
The Journal of Chemical Physics. 43:3287-3290
Self‐consistent‐field calculations, using small sets of Gaussian expansion functions, have been performed for the benzene molecule. All 42 electrons were considered explicitly. Some interspersion of sigma and pi levels has been found. Computed io
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::d55862c61635919f98c69bdffc8094c9
https://doi.org/10.1063/1.1697302
https://doi.org/10.1063/1.1697302