Zobrazeno 1 - 10
of 77
pro vyhledávání: '"Ouassas, A."'
Autor:
Guermoune, Abdeladim, Jarid, Abdellah *, Ouassas, Abdeljalil, Chafiq, Serrar, Es-sofi, Abderrahman
Publikováno v:
In Chemical Physics Letters 2004 399(1):190-195
Autor:
Zaki, M.1 (AUTHOR), Ouassas, A.1 (AUTHOR) ouassas@ucam.ac.ma, El Messaoudi, M.1 (AUTHOR), Berraho, M.1 (AUTHOR), Jarid, A.1 (AUTHOR), Sanau, M.2 (AUTHOR), Estevan, F.2 (AUTHOR), Lahuerta, P.2 (AUTHOR)
Publikováno v:
Synthesis & Reactivity in Inorganic, Metal-Organic, & Nano-Metal Chemistry. 2005, Vol. 35 Issue 5, p339-342. 4p.
Publikováno v:
In Journal of Molecular Structure: THEOCHEM 19 November 1999 491(1-3):161-169
Publikováno v:
In Journal of Molecular Structure: THEOCHEM 1999 492(1):197-202
Autor:
M. Sanau, A. Ouassas, Pascual Lahuerta, M. El Messaoudi, A. Jarid, Francisco Estevan, M. Zaki, M. Berraho
Publikováno v:
Synthesis and Reactivity in Inorganic, Metal-Organic, and Nano-Metal Chemistry. 35:339-342
The reaction of [RuCl2(PPh3)3] complex with 2,7‐dimethyl‐3, 5‐dithioxo‐3, 4, 5, 6‐tetrahydro‐2H‐1, 2, 4‐triazepine (H2TAZS) provide the cis‐[Ru(PPh3)2(HTAZS)2] mononuclear complex in the presence of triethylamine. X‐ray diffractio
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::26f5eba671d12982eb4f84419b90fc98
https://doi.org/10.1081/sim-200059188
https://doi.org/10.1081/sim-200059188
Publikováno v:
Chemical Physics Letters. 399:190-195
The B 2 H 3 - gas phase potential energy surface is studied at DFT(B3LYP/6-311+g(3df,2p)), MP2/6-311+g(3df,2p) and CCSD(T)//DFT and MP2 levels of theory. Many structures (isomers and transition states), which are not reported before, have been detect
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::6c99b1e5f3e78a1b8547b591b50c516f
https://doi.org/10.1016/j.cplett.2004.10.007
https://doi.org/10.1016/j.cplett.2004.10.007
Autor:
C. Serrar, A. Ouassas, A. Es-sofi, Abderrahim Boutalib, Ignacio Nebot-Gil, Abdellah Jarid, Francisco Tomás
Publikováno v:
The Journal of Physical Chemistry A. 106:9065-9070
B3H7XH3 and H3BXH3 (X = N, P, and As) have been studied as donor−acceptor complex type at the G2(MP2) level of theory. Both single- and double-bridged structures of B3H7 Lewis acid are taken into account. Although the double-bridged structure is en
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::6a47f6d176bfe13dcbfca3cfe0850713
https://doi.org/10.1021/jp020981x
https://doi.org/10.1021/jp020981x
Publikováno v:
Journal of Molecular Structure: THEOCHEM. 492:197-202
The structural complexity and chemical stability of the oxaborate [B11H12O]− ion made us use a quantum chemical calculation which is an indispensable tool to complete the experimental data. Therefore, we have optimised the geometries of six possibl
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::5fda4a1adb016389ae35737768a1e9d0
https://doi.org/10.1016/s0166-1280(99)00163-3
https://doi.org/10.1016/s0166-1280(99)00163-3
Publikováno v:
Journal of Molecular Structure: THEOCHEM. 491:161-169
Formation of B 3 H 7 species from the protonation of B 3 H 8 − has been studied by ab initio calculations at the HF and correlated MP2 levels using extended basis set 6-31+G ∗∗ . Two elementary processes, B 3 H 8 − +H + →B 3 H 9 and B 3 H 9
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::670d26b37c502dd595f7263b764f19cc
https://doi.org/10.1016/s0166-1280(99)00103-7
https://doi.org/10.1016/s0166-1280(99)00103-7
Publikováno v:
Journal of Molecular Structure: THEOCHEM. 423:161-171
In this paper we have theoretically studied different isomers of the Me 2 S·B 11 H 13 complex using the AM1 semi-empirical SCF-MO calculations. The calculated geometries were in good agreement with those determined by using X-ray diffraction. The co
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::649af6dec5e6b3b676ce0e15257170d4
https://doi.org/10.1016/s0166-1280(96)04910-x
https://doi.org/10.1016/s0166-1280(96)04910-x