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ab initio calculation
12
"HNO Is Produced by the Reaction of NO with Thiols" (2017) Suarez, S.A.;Muñoz, M.;Alvarez, L. (...)Doctorovich, F. Journal of the American Chemical Society. 139(41):14483-14487
"The PKA regulatory subunit from yeast forms a homotetramer: Low-resolution structure of the N-terminal oligomerization domain" (2016) González Bardeci, N.;Caramelo, J.J.;Blumenthal, D.K. (...)Moreno, S. Journal of Structural Biology. 193(2):141-154
"Role of the charge-transfer state in the electronic absorption of protonated hydrocarbon molecules" (2010) Alata, I.;Dedonder, C.;Broquier, M. (...)Jouvet, C. Journal of the American Chemical Society. 132(49):17483-17489
"Synthesis and GABAA receptor activity of oxygen-bridged neurosteroid analogs" (2008) Alvarez, L.D.;Veleiro, A.S.;Baggio, R.F. (...)Burton, G. Bioorganic and Medicinal Chemistry. 16(7):3831-3838
"Naturally-occurring cyclopeptides: Structures and bioactivity" (2006) Pomilio, A.B.; Battista, M.E.; Vitale, A.A. Current Organic Chemistry. 10(16):2075-2121
"Influence of 4f hybridization on the structural and electronic properties of CeM2Si2(M = Ru, Rh, and Pd)" (2004) Vildosola, V.; Llois, A.M.; Sereni, J.G. Physical Review B - Condensed Matter and Materials Physics. 69(12)
"Half-metallic character and electronic properties of inverse magnetoresistant Fe1-xCoxSi alloys" (2004) Guevara, J.; Vildosola, V.; Milano, J.; Llois, A.M. Physical Review B - Condensed Matter and Materials Physics. 69(18):184422-1-184422-6
"Ab initio study of NMR 15N chemical shift differences induced by Ca2+ binding to EF-hand proteins" (2004) Biekofsky, R.R.;Turjanski, A.G.;Estrin, D.A. (...)Pastore, A. Biochemistry. 43(21):6554-6564
"Finite-size effects and localization properties of disordered quantum wires with chiral symmetry" (2003) Chiappe, G.; Sánchez, M.J. Physical Review B - Condensed Matter and Materials Physics. 68(15):1554081
"Special issue on recent advances in nuclear magnetic shielding theory" (2002) Ferraro, M.B. International Journal of Molecular Sciences. 3(8):856-857
"Non-empirical calculations of NMR indirect carbon-carbon coupling constants: 1. Three-membered rings" (2002) Krivdin, L.B.; Sauer, S.P.A.; Peralta, J.E.; Contreras, R.H. Magnetic Resonance in Chemistry. 40(3):187-194