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Density functional calculations
10
"DFT Study on the Structures and Stability of BenSnn (n=1 – 5) and Be2nSnn (n=1 – 4) Clusters." (2018) Fioressi, S.E.; Duchowicz, P.; Bacelo, D.E. ChemistrySelect. 3(46):13017-13024
"Class III delocalization in a cyanide-bridged trimetallic mixed-valence complex" (2014) Pieslinger, G.E.; Albores, P.; Slep, L.D.; Baraldo, L.M. Angewandte Chemie - International Edition. 53(5):1293-1296
"Magnetic study of a pentanuclear {co2IIICo 3II} cluster with a bent {coII3} motif" (2014) Lazzarini, I.C.;Funes, A.V.;Carrella, L. (...)Alborés, P. European Journal of Inorganic Chemistry(15):2561-2568
"An electron-rich {RuNO} 6 complex: Trans-[Ru(DMAP) 4(NO)(OH)] 2+ - Structure and reactivity" (2012) Osa Codesido, N.;De Candia, A.G.;Weyhermüller, T. (...)Slep, L.D. European Journal of Inorganic Chemistry(27):4301-4309
"Nucleophilic addition reactions of the nitroprusside ion - The case of O-methylhydroxylamine" (2012) Gutiérrez, M.M.; Olabe, J.A.; Amorebieta, V.T. European Journal of Inorganic Chemistry(28):4433-4438
"Conformational pathways of simple six-membered rings" (2010) Stortz, C.A. Journal of Physical Organic Chemistry. 23(12):1173-1186
"Experimental and theoretical study of the proton methoxy chemical shifts of substituted 3,4-dimethoxyphenethylamines and maleimide/phthalimide derivatives" (2008) Vitale, A.A.;Stahl, A.E.;Cecilia dos Santos Claro, P. (...)Jubert, A.H. Journal of Molecular Structure. 881(1-3):167-174
"EPR insensitivity of the metal-nitrosyl spin-bearing moiety in complexes [LnRuII-NO.]k" (2004) Frantz, S.;Sarkar, B.;Sieger, M. (...)Záliš, S. European Journal of Inorganic Chemistry(14):2902-2907
"Synthesis of anticonvulsant sulfamides. Theoretical study of the related mechanism" (2003) Gavernet, L.; Cisneros, H.S.; Bruno-Blanch, L.E.; Estiú, G.L. Theoretical Chemistry Accounts. 110(6):434-440