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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
"Relationship between the conformation of the cyclopeptides isolated from the fungus Amanita phalloides (Vaill. Ex Fr.) Secr. and its toxicity"
(2000) Battista, M.E.; Vitale, A.A.; Pomilio, A.B. Molecules. 5(3):489-490
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