Zobrazeno 1 - 10
of 23
pro vyhledávání: '"L. G. Gorb"'
Publikováno v:
Vìsnik Odesʹkogo Nacìonalʹnogo Unìversitetu: Hìmìâ, Vol 17, Iss 2(42), Pp 32-41 (2014)
2D-QSPR models were developed in order to predict aqueous solubility of organic compounds at different temperatures. Impact of various structure features was analyzed and benzene residues contribution to solubility was defined. A reliable model which
Externí odkaz:
https://doaj.org/article/50643a2ec3b2405e91f97abdf77cbde8
Autor:
A. S. Pavlova, L. G. Gorbich
Publikováno v:
Библиосфера, Vol 0, Iss 4, Pp 65-71 (2022)
The article presents the results of compiling the External Electronic Resources directory based on the online platform “Web-office of a Scientist” (http://i.uran.ru/webcab/) of the Central Scientific Library of the Ural Branch of the Russian Acad
Externí odkaz:
https://doaj.org/article/66c1043f3be4425b8cfbe6efc0f68d54
Publikováno v:
Journal of Molecular Catalysis A: Chemical. 98:147-155
The quantum-chemical investigation of the Lewis acid site (LAS) geometric structure for perfect dehydroxylated α-Al2O3 faces (0001), (1120) and (2240) produced by oxide chopping along the chosen crystallographic direction was performed by the semiem
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::8eeab3b556dbec40a702050a93627fcc
https://doi.org/10.1016/1381-1169(95)00003-8
https://doi.org/10.1016/1381-1169(95)00003-8
Publikováno v:
Surface Science. 274:287-291
The relaxation of the Lewis acidic site (LAS) on the (0001) α-Al 2 O 3 face was studied by the semi-empirical SCF MO LCAO method within the MINDO/3 approximation with geometry optimization. The possibility of strong relaxation of the atoms was demon
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::117bf92538bd302d229ae5bd7ec3cde6
https://doi.org/10.1016/0039-6028(92)90533-c
https://doi.org/10.1016/0039-6028(92)90533-c
Publikováno v:
Theoretical and Experimental Chemistry. 25:534-538
The MINDO/3 semiempirical approximation in SCF MO LCAO has been used to examine whether a cluster scheme can be used to calculate the electronic structures for aluminum oxides. Conditions are defined under which the hypervalent environment of the alu
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::20675c5c1eebb3482c9a5cd410c7bb7d
https://doi.org/10.1007/bf00529970
https://doi.org/10.1007/bf00529970
Publikováno v:
Theoretical and Experimental Chemistry. 32:17-19
We have investigated the mechanism of gas-phase chlorination of acetylene using anab initio quantum chemical method in a 3–21G° basis. We show that formation ofcis andtrans addition products may be connected with the appearance of carbene in the r
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::cd5718d2f46369bb7fbfc4ce992b6c5f
https://doi.org/10.1007/bf01372533
https://doi.org/10.1007/bf01372533
Publikováno v:
Informaciâ i Innovacii, Vol 13, Iss 4, Pp 27-31 (2018)
The article discusses the issues of data exchange between information systems within the library and with external information sources for the tasks of the Expert System of Acquisition. It presents a solution of one of the typical problems in this di
Externí odkaz:
https://doaj.org/article/36d63aaf494e401692e829a5787d32c2
Publikováno v:
Journal of Structural Chemistry. 30:672-673
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::31f87474278b3fa8fd22150101a63fc8
https://doi.org/10.1007/bf00751464
https://doi.org/10.1007/bf00751464
Publikováno v:
Theoretical and Experimental Chemistry. 26:360-360
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::93255bc8aaab7830d4c7a688b8e5485e
https://doi.org/10.1007/bf00641352
https://doi.org/10.1007/bf00641352