Zobrazeno 1 - 10 of 229 pro vyhledávání: '"M. Kaftory"'
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The hybrid DF/HF calculations for the NS, NO, NN and ONS bridged radicals
Autor: M. Kaftory, A. Zakrassov
Publikováno v: Crystal Engineering. 6:31-42
The hybrid density functional/Hartree-Fock methods (DF/HF) UB3LYP and UB1LYP with 6–31 G(d) basis set have been applied to the atomic spin densities and isotropic hyperfine coupling constants (hfcc’s) calculations of the NS, ONS, NN and NO bridge
Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_________::13a210fc6c5afb9deff460777bf4f2c8
https://doi.org/10.1016/s1463-0184(03)00045-5
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3
Predictions of nitrogen isotropic hyperfine coupling constants in the nitroxide radicals with the aid of DF/HF calculations
Autor: M Kaftory, A Zakrassov
Publikováno v: Journal of Solid State Chemistry. 169:75-80
Nitrogen isotropic hyperfine coupling constants in different nitroxide radicals calculated via ab initio hybrid density functional/Hartree–Fock methods (UB3LYP and UB1LYP) with 6-31G(d) basis set of Gaussian 98 were found to be in a good agreement
Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_________::ad1e1fd5dfb17dbc24b19dca3761c6df
https://doi.org/10.1016/s0022-4596(02)00022-1
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4
2,3-Bis(diphenylmethylene)succinic Anhydride, (I), 2-(2-Adamantylidene)-3-(9-fluorenylidene)succinic Anhydride, (II), and 2-(9-Fluorenylidene)-3-(3,4,5-trimethoxybenzylidene)succinic Anhydride, (III)
Autor: M. Botoshansky, Y. Goldberg, S. Goldberg, M. Kaftory
Publikováno v: Acta Crystallographica Section C Crystal Structure Communications. 54:683-687
The title compounds are derivatives of dimethylenesuccinic anhydride and belong to the fulgide family of compounds. The fulgides were the first photochromic systems to be discovered. Fulgide (I) (C30H20O3) possesses a crystallographic twofold axis. T
Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_________::d83209f3520daaa4c37c5b35a3b956a3
https://doi.org/10.1107/s0108270197018441
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5
The role of nucleation site in determining the morphology of the product crystal in a structural phase transition
Autor: M. Kaftory, I. Agmon
Publikováno v: Journal of Applied Crystallography. 27:146-150
The Diels–Alder reaction between 11-cyano-1,6-methano[10]annulene and 4-methyl-1,2,4-triazoline-3,5-dione yields the exo and endo isomers of the adduct 2,3,5,5a,9a,10-hexahydro-2-methyl-1,3-dioxo-5,10-etheno-5a,9a-methano-1H-[1,2,4]triazolo[1,2-b]p
Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_________::f64c64a95fa1a07e5af1eab721c6c11a
https://doi.org/10.1107/s0021889893007903
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6
Structures of Diels–Alder mono-adducts of 4-phenyl- or 4-methyl-1,2,4-triazolidine-3,5-dione with 11-substituted-1,6-methano[10]annulene
Autor: M. Kaftory, P. Ashkenazi
Publikováno v: Acta Crystallographica Section C Crystal Structure Communications. 49:731-735
1H,2H,5H,10H-5a,9a-Dihydro-2-phenyl5,10-etheno-5a,9a-methano[1,2,4]triazolo[1,2-b]phthalazine-1,3-dione (1), C 19 H 15 N 3 O 2 , M r =317.35, monoclinic, P2 1 /c, a=8.500 (4), b=14.271 (7), c=12.758 (6) A, β=91.97 (2) o , V=1546.67 A 3 , Z=4, D x =1
Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_________::fe6c941b58f16a2deba207c629f3b036
https://doi.org/10.1107/s0108270192012253
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9
Ethyl 3,3-Dimethyl-2-(1-oxo-3-phenylinden-2-yl)acrylate
Autor: S. Goldberg, M. Botoshansky, M. Kaftory, Y. Goldberg
Publikováno v: Acta Crystallographica Section C Crystal Structure Communications. 54:849-851
The crystal structure of the title compound, C22H20O3, was determined from intensities collected at 120 K. The dihedral angle between the phenyl ring and the indenone moiety is 124.6 (1)°. The non-bonded distance between the potentially reacting cen
Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_________::3f7d00882d7004c02da8752935ad357d
https://doi.org/10.1107/s010827019701843x
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10
1-Cyano-2-p-bromophenylazulene and 2-Azulenylmethyl 2-Anthraquinoate
Autor: Jörg Daub, M. Botoshansky, M. Kaftory, A. Mirlach
Publikováno v: Acta Crystallographica Section C Crystal Structure Communications. 53:1907-1909
The title azulene, C 17 H 10 BrN, (I), and ester, C 26 H 16 O 4 , (II), are precursors for the preparation of the corresponding 1,8a-dihydroazulenes which are potentially photochromic compounds. In both compounds, the azulene moiety is found to be pl
Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_________::921669ce0e2e0784e9b207d6061a43d6
https://doi.org/10.1107/s0108270197009839
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