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Computer Simulation (Latest Articles)
Latest indexed articles for 'Computer Simulation'
Articles 131 to 140 of 200:
Phosphines bearing alkyne substituents: synthesis and hydrophosphination polymerization.
5 Sep 2009 
A synthetic route is described for a series of phosphines bearing pendant alkyne substituents, from the conversion of BrC(6)H(2)R(2)C[triple bond]CR' (R = Me, i-Pr; R' = Ph, SiMe(3)) to [(mu-Br)Cu(Et(2)N)(2)PC(6)H(2)R(2)C[triple bond]CR'](2) and ...
rec_pub_19645501-phosphines-bearing-alkyne-substituents-synthesis-hydrophosphination.htm
5 Sep 2009 The synthesis, linear optical and nonlinear optical properties, as well as the electrochemical behavior of a series of pro-ligands containing the 4-(4-N,N-dimethylaminostyryl)-1-methyl pyridinium (DASP(+)) group as a push-pull moiety covalently ...
rec_pub_19642646-electrochemical-linear-optical-nonlinear-optical-properties.htm
5 Sep 2009 The synthesis and structure of the pseudotetrahedral, sulfur-rich, high-spin organoiron(II) [phenyltris((tert-butylthio)methyl)borate]Fe(Me), [PhTt(tBu)]Fe(Me), 1, are reported. Low-temperature Mössbauer spectroscopic studies reveal an isomer shift ...
rec_pub_19642622-a-high-spin-organometallic-fe-s-compound-structural-m-ssbauer.htm
5 Sep 2009 The geometric and electronic structures of a series of one-electron oxidized group 10 metal salens (Ni, Pd, Pt) have been investigated in solution and in the solid state. Ni (1) and Pd (2) complexes of the tetradentate salen ligand ...
rec_pub_19639970-detailed-evaluation-geometric-electronic-structures-electron-oxidized.htm
5 Sep 2009 A combination of density functional theory (DFT) calculations and Mössbauer spectroscopy has been used to determine that the magnetic easy-axis is coincident with its crystallographic c-axis in [Fe(pca)(2)(py)(2)] x py, where pac is the ...
rec_pub_19630378-combined-m-ssbauer-spectral-density-functional-theory-determination.htm
5 Sep 2009 The complexes [Ru(bpy)(2)(OS)](PF(6)) and [Ru(bpy)(2)(OSO)](PF(6)), where bpy is 2,2'-bipyridine, OS is 2-methylthiobenzoate, and OSO is 2-methylsulfinylbenzoate, have been studied. The electrochemical and photochemical reactivity of ...
rec_pub_19435341-photochromic-ruthenium-sulfoxide-complexes-evidence-isomerization.htm
5 Sep 2009 The conformational flexibility and dynamics of two (1-->6)-linked disaccharides that are related to the action of the glycosyl transferase GnT-V have been investigated. NMR NOE and T-ROE spectroscopy experiments, conformation-dependent coupling ...
rec_pub_19637158-conformational-flexibility-dynamics-two-1-6-linked-disaccharides.htm
Approach sensitivity in the retina processed by a multifunctional neural circuit.
4 Sep 2009 The detection of approaching objects, such as looming predators, is necessary for survival. Which neurons and circuits mediate this function? We combined genetic labeling of cell types, two-photon microscopy, electrophysiology and theoretical ...
rec_pub_19734895-approach-sensitivity-retina-processed-multifunctional-neural-circuit.htm
3 Sep 2009 PRINCIPLES: The evaluation of the capacity of a country's public health system in case of an influenza pandemic is essential for preparedness planning. Only few studies compare existing medical resources with those required during a severe pandemic. ...
rec_pub_19675954-effects-interventions-demand-hospital-services-influenza-pandemic.htm
Atypical mechanism of conduction in potassium channels.
2 Sep 2009 Potassium channels can conduct passively K+ ions with rates of up to approximately 10(8) ions per second at physiological conditions, and they are selective to these species by a factor of 10(4) over Na+ ions. Ion conduction has been proposed to ...
rec_pub_19805261-atypical-mechanism-conduction-potassium-channels.htm
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