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In a QM MM calculation, a small region is treated by a quantum mechanical , a total of 7076 atoms. The results showed specific transition state stabilization by the enzyme. Comparison with the same reaction in solution showed that transition state stabilization is important in catalysis by chorismate mutase78.

In a radical anion with a constant a energy becomes larger when the

In a reaction where there is no zero-point energy difference in the transition state, the isotope effect will result from the difference in the zero-point energies of the C—and C—D bonds in the ground state.

In a real polymer fiber, many different types of conformational changes could occur at different temperatures, and each conformational change is characterized by a different relaxation time. The Maxwell model only contains one relaxation time, and hence it cannot reproduce the entire stress relaxation curve over a long period of time. Nevertheless, the Maxwell model is a classical initial treatment of the viscoelastic behavior and often is used to describe the stress relaxation of polymer fibers in a relatively short time period.

In a recent collaborative study we have synthesised the triketide alcohol to study the overall stereochemistry of the ketoreduction and elimination reactions.

In a related form, but of type C , the characteristic bifurcation is extended to the carboxyl oxygen. When one or two of the interactions that stabilize S are decoupled, the forms S, S, and S, result. Again, except for the case of 5, different levels of ab initio theory disagree on whether planar or nonplanar forms are the energy minima of some of the S-forms.

In a retrofit situation, plotting the actual steam duties allows lost potential to be identified.

In a reversible, isothermal change of state with an ideal gas the internal energy U is constant the supplied heat Q corresponds to the work performed by the gas on its surroundings. In this case, AS can be calculated from the equation of definition.

In a ring of intermediate fluences, a ripple periodicity of 0.7 pm and another type of 0.2 pm periodicity in the edge region near the ablation threshold are found. Their orientation does not communicate. At pulse numbers above five, the 0.2-pm ripples disappear, and the 0.7-pm type dominates and grows to a 1.0-pm periodicity at the bottom of the crater

In a rotating lime kiln, calcium carbonate undergoes thermal decomposition to form calcium oxide and carbon dioxide.

In a sagittal section through the left liver, the caudate lobe can be seen posterior to segments 2 and 3. Note the fine stippled texture of the hver s parenchyma. IVC, inferior vena cava RAT, right atrium

In a saturated solution, the solute is partitioned between the solid state and solute in solution

In a scaled-up version of the vapour diffusion method the protein solution is kept in an atmosphere which is slowly changed by the diffusion of vapour into it. This can be the vapour of an organic solvent or of a volatile acid or base. The vessels or small tubes with the protein solution can be placed, e.g. into a desiccator which has at its bottom the evaporating solution. This is a method more commonly applied to small molecule crystal growth. Figure kindly supplied by J. Drenth, University of Groningen and reproduced with permission.

In a second system, two ligand-receptor pairs formed in the presence of each other. The pattern of the hydrophobic faces on the ligands and receptors was chiral, and the receptors and ligands assembled in a way that juxtaposed enantiomeric chiral faces. In a third system, one hexagon selectively assembled with a receptor. Receptors that selectively assembled two or three hexagons were also fabricated.

In a self-driving cell, the negative electrode is the anode, or an electron sink for deelectronation, and the positive electrode is the cathode, or an electron source for the electronation reaction.

In a self-driving cell, the plot of cell overpotential vs. log cell current density should be a straight line if the charge transfers at both electrodes are both rate controlling and valid under the high-field approximation. An apparent 0 for the cell as a whole can be deduced.

In a semi-batch reactor, the mean mixture fraction evolves along a curve starting at -space that lie between these two extremes. The final value of Y2oa will therefore depend on the rate of micromixing relative to reaction.

In a shifting move for Newtonian dynamics a new path dark gray is created from an old on or backward in time

In a shooting move for deterministic trajectories, a time slice xjf qjf, pj on the old path is selected at random and the corresponding momenta are changed by a small random amount 5p. Integration of the equations of motion backward to time 0 and forward to time t starting from the modified state xjf pj yields the new

In a shooting move for Newtonian dynamics a new path by perturbing the momenta at a randomly selected time slice. From this perturbed point the equations of motion are then integrated backward and forward in time

In a shooting move for stochastic dynamics forward and backward trajectory segments can be initiated from an unchanged shooting point xjf.

In a shooting move, a new pathway trajectory segments initiated at the modified time slice x If the new trajectory is reactive, that is, if it starts in A and ends in B, the path is accepted with a finite probability and rejected otherwise.

In a short time interval dt, the vector R.

In a short time, the shape changes to a low frequency saw

In a simple osmosis experiment, a solution is separated from the pure solvent by a semipermeable membrane. Pure solvent passes through the membrane and the solution rises in the inner tube. The net flow ceases when the pressure exerted by the column of liquid is equal to the osmotic pressure of the solution.

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