Result Number | Material Type | Add to My Shelf Action | Record Details and Options |
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1 |
Material Type: Artigo
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Mechanism of Stereoselective Synthesis of Push-Pull ( Z )-4-Oxothiazolidine Derivatives Containing an Exocyclic Double Bond. A MNDO-PM3 StudyMarković, Rade ; Vitnik, Željko ; Baranac, Marija ; Juranić, IvanJournal of chemical research, 2002-10, Vol.2002 (10), p.485-489 [Periódico revisado por pares]Texto completo disponível |
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2 |
Material Type: Artigo
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Diphenylmethane and diphenyl ether experimental conformations and torsional surfaces calculated with AM1, MNDO, PM3, and density functional theory (Becke3LYP)Strassner, ThomasCanadian journal of chemistry, 1997-07, Vol.75 (7), p.1011-1022 [Periódico revisado por pares]Ottawa, Canada: NRC Research PressTexto completo disponível |
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3 |
Material Type: Artigo
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Molecular modeling of the Wittig olefination reaction: Part 2: A molecular orbital approach at the MNDO-PM3 levelMarí, Frank ; Lahti, Paul M. ; McEwen, William E.Heteroatom chemistry, 1991-04, Vol.2 (2), p.265-276 [Periódico revisado por pares]Florida: VCH Publishers, IncTexto completo disponível |
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4 |
Material Type: Artigo
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Theoretical study of the mechanism of the Wittig reaction: Ab initio and MNDO-PM3 treatment of the reaction of unstabilized, semistabilized, and stabilized ylides with acetaldehydeRestrepo-Cossio, Albeiro A. ; Cano, Hermisul ; Marí, Frank ; Gonzalez, Carlos A.Heteroatom chemistry, 1997, Vol.8 (6), p.557-569 [Periódico revisado por pares]Florida: VCH Publishers, IncTexto completo disponível |
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5 |
Material Type: Artigo
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"False" thymine-1H-Enol guanine base pair. low misinsertion rate by DNA polymerase explained by computational chemistry considerationSeclaman, E ; Kurunczi, L ; Simon, ZBiochemistry (Moscow), 2007-03, Vol.72 (3), p.328-331 [Periódico revisado por pares]United States: Springer Nature B.VTexto completo disponível |
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6 |
Material Type: Artigo
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Semiempirical Theoretical Studies of 1,3-Benzodioxole Derivatives as Corrosion InhibitorsShamy, Omnia A.A. El Deflorian, FlavioInternational Journal of Corrosion, 2017-01, Vol.2017, p.1-10 [Periódico revisado por pares]New York: HindawiTexto completo disponível |
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7 |
Material Type: Artigo
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Determination of all pK a Values of Some di- and Tri-Carboxylic Unsaturated and Epoxy Acids and Their Polylinear Correlation with the Carboxylic Group Atomic ChargesPfendt, L. ; Drazić, B. ; Popović, G. ; Drakulić, B. ; Vitnik, Z. ; Juranić, I.Journal of chemical research, 2003-05, Vol.2003 (5), p.247-248 [Periódico revisado por pares]Texto completo disponível |
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8 |
Material Type: Artigo
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Specific Interactions and the Nature of the Chemical Nonequivalence of Chlorine Atoms in the ECl3 Group (E = C, P) of Trichlorophosphonium Ylides and Isomeric Dichloro(trichloromethyl)phosphineRomanenko, E. A.Russian journal of general chemistry, 2005-07, Vol.75 (7), p.1085-1090 [Periódico revisado por pares]Texto completo disponível |
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9 |
Material Type: Newsletter Articles
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Structural Chemistry; New structural chemistry data have been reported by F.N. Dultsev and co-authorsChemicals & Chemistry, 2009, p.83Atlanta: NewsRxTexto completo disponível |
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10 |
Material Type: Artigo
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Synthesis, spectral, DFT, and semi-empirical study of trimetallic complexes with pyrazole-3,5-dicarboxylic acid containing Sn(IV) and Hg(II)Abbas, A. ; Ali, S. ; Shahzadi, S. ; Sharma, S. K. ; Qanungo, K.Russian journal of general chemistry, 2015-07, Vol.85 (7), p.1725-1733 [Periódico revisado por pares]Moscow: Pleiades PublishingTexto completo disponível |