The rates of tautomerization of 2-nitrocyclohexanone (2-NCH) have been measured spectrophotometrically at 25.0 +/- 0.1 degrees C in several organic aprotic solvents and their binary mixtures. In cyclohexane the reaction is effectively catalyzed by bases and inhibited by acids while the so-called "spontaneous reaction" appears essentially due to autocatalysis. Apparent second order rate constant...

Ultrasonic attenuation due to phonon–phonon interaction and thermoelastic loss was evaluated in VIII group transition metal Pt in a wide temperature range (100 K to 1500 K) for longitudinal and shear waves along 〈100〉, 〈110〉 and 〈111〉 directions and for shear waves polarised along different directions. Electrostatic and Born–Mayer potentials were used to obtain second and third order elastic co...

We carried out a molecular modeling study of an important reaction in the combustion of nitrogen-containing chars, the evolution of nitric oxide, (CNO)!NO+(C*). Density functional theory at the B3LYP level was used to provide potential energy surface information and transition state theory was used to provide temperature dependant rate constants. Desorption of NO from nitrogen-containing carbon...

The kinetics of saturated hydrides methane (CH4), silane (SiH4), germane (GeH4), ammonia (NH3), phosphine (PH3), arsane (AsH3), water (H2O), and hydrogen sul5de (H2S) in the low-temperature atmospheres of Jupiter, Saturn, Uranus, Neptune, Pluto, Titan, and Triton reacting with suprathermal hydrogen atoms were investigated computationally to extract suprathermal rate constants k(E) via an invers...

Kinetic and thermodynamic properties of water encapsulation from organic solution by an open-cage [60]fullerene derivative have been investigated. 2D exchange NMR spectroscopy (EXSY) measurements were employed to determine the association and dissociation constants at 300-330 K (k(a) = 4.3 M(-1) × s(-1) and k(d) = 0.42 s(-1) at 300 K) in 1,1,2,2-tetrachloroethane-d(2) as well as the activation ...

The reversible binding to fumarase of the competitive inhibitors, tram+aconitate and citrate, and of the natural substrates, fumarate and L-malate, was studied by the method of equilibrium dialysis. The binding of the enol tautomer of oxalacetate, a secondary substrate of fumarase, was measured spectrophotometrically. The results of these studies indicate that there are four substrateor inhibit...

Logarithms of stability constants, log K₁ and log β₂, of the first transition series metal mono- and bis-complexes with any of four aliphatic amino acids (glycine, alanine, valine and leucine) decrease monotonously with third order valence connectivity index, ³χv, from Cu²+ to Mn²+. While stability of the complexes with the same metal is linearly dependent on ³χv, stability constants of Mn²+, F...

1. The Michaelis constants for both isoenzymes for both substrates depend strongly on ionic concentration, being approximately proportional to phosphate concentration over considerable ranges. This is probably an effect of anions only. 2. In the absence of added salt, K(m) (2-oxoglutarate) (anionic isoenzyme) is so small as to be indeterminate. 3. K(m) (l-aspartate) (anionic isoenzyme) passes t...

We show that the structure constants of k-Lie algebras, k > 3, with a positive definite metric are the sum of the volume forms of orthogonal k-planes. This generalizes the result for k = 3 in arXiv:0804.2662 and arXiv:0804.3078, and confirms a conjecture in math/0211170. Metric k-Lie algebras, k > 2, have emerged in the investigation of maximally supersymmetric supergravity solutions in [1]. In...

Thermal rate constants are calculated for the H + CH(4) --> CH(3) + H(2) reaction employing the potential energy surface of Espinosa-Garcia (Espinosa-Garcia, J. J. Chem. Phys. 2002, 116, 10664). Two theoretical approaches are used. First, we employ the multiconfigurational time-dependent Hartree method combined with flux correlation functions. In this way rate constants in the range 225-400 K a...