Learn their symbols and differences, how to calculate Q and K, and see examples. Related to this QuestionList one difference between K_c and K_p. List one similarity between K_c and K_p. Define Kc and Kp mathematically and show the relationship between them. Explain what is meant...
We calculate the interaction between encapsulated Li, K and O atoms and the C cage in M@C endohedral complexes from first principles. The M C bond is purely ionic for K, and has only a small covalent contribution for Li. The K and Li atoms are confined within the nearly sperical potent...
How is changing the concentration of a reactant in a reaction related to a shift in equilibrium position? Le Chatelier's Principle: Le Chatelier's Principle states that when a reaction system at equilibrium is disturbed, it may shift left or right to c...
How will quantum computers provide an industrially relevant computational advantage in quantum chemistry?A. BochevarovB.W. BroerJ. GavartinK. P. LortonM. WebberM.D. HallsV.E. Elfving
To calculate the temperature at the center of the chip, the following conditions were set: x = a/2 and y = b/2. Furthermore, diffusivity in the radial and tangential directions were assumed to be very similar since they are both against the wood grain, and α x was set equal to α...
We next asked how it is possible that long-lived misfolded proteins are able to bypass the post-translational cellular chaperone machinery. To address this question we used coarse-grained Langevin dynamics to calculate the dissociation constant between the chaperone GroEL and three distinct conformational...
Taking the leakage of the experimental set-up into account, we related the measured Rn-222 to the Ra-226 content of the reference material to calculate the Rn-222 loss from the sample containers. For most of the reference materials investigated the sealing techniques applied reduced the Rn-222...
Schematic of the Warming Acidification and Sea-level Projector (WASP). WASP is an 8-box model of the Earth System.Arrowsindicate fluxes of carbon and heat. The ocean has prescribed e-folding timescales,τ, for tracers to equilibrate. Full details of the WASP model are found in the “Appendi...
We have used density functional methods to calculate fully relaxed potential energy curves of the seven lowest electronic states during the binding of O 2 to a realistic model of ferrous deoxyheme. Beyond a Fe–O distance of 2.5 , we find a broad crossing region with five electronic states ...