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CH4304 Quantum and Statistical Mechanics of Molecules and Solids
Question 1: Demonstrate awareness of methods for description of electronic structure of molecules and solids.
Question 2: Describe means to relate molecular to macroscopic properties using the techniques of statistical mechanics.
Question 3: Evaluate results of electronic structure calculations, critically assess their performance and extract chemically relevant properties.
Question 4: Calculate thermodynamic and kinetic properties of molecular systems from knowledge of molecular properties.
Question 5: Understand and predict key properties of materials based on a band structure description of their electronic structure.Being (Performance in this area will enable students to achieve more than a basic pass):
Question 6: Retrieve and communicate data, findings and procedures from a variety of sources (literature, electronic databases, experiments/calculations).
Calculate the 1) mls of 15M Acetic acid 2) the grams of sodium acetate 3) and the mls of water required to make a 500mM acetate buffer at pH 4.85
As Canadian oil reserves are consumed, we may start to use oil from the tar sands, the Arctic and offshore under the oceans. Explain what do you see as some of the disadvantages and risks of developing and using these sources
A mixture of 0.200 mol of CO2, 0.100 mol of H2 and 0.160 mol of water is placed in a 2.00 L container. The following equilibrium is established at 500 K: Calculate the initial partial pressures of CO2,H2, and H2O
In trans-1,2-dibenzoylethylene, even though the conjugated C=O group frequency coincides directly with the expected C=C stretching frequency, we would not have expected to observe the latter stretching mode in the infrared spectrum. Why
Titrating with 0.04614 M AgNO3 requires 25.13 mL to reach the Mohr end point. Report the %w/w KBr in the sample.
Calculate the pH of a buffer solution made by mixing 40.4 g of potassium formate into 1 L of a 0.09 M solution of formic acid. Give the pH to two decimal places.
If 14.0 mL of a 0.742 M solution of barium hydroxide is mixed with 25.9 mL of a 0.724 M solution of phosphoric acid, and 1.98 g of solid barium phosphate is collected once the reaction is complete, what is the percent yield of the reaction
Draw resonance structures to show in which position 4-methylacetanilide will undergo nitration.
Reaction of 1.5 g calcium chloride with 3.4 g of silver nitrate gives 2.7 g of silver chloride. Write the balanced formula and net ionic equations for the reaction. Determine the limiting reagent and the theoretical and percent yields of silver ch..
What is the equilibrium constant, K, value (ignore units) at 441.3 K for the following reaction ? N2(g) + 3 H2(g) ? 2 NH3(g) [Note (all at 25oC): (1) Standard enthalpies of formation for N2, H2, and NH3
What volume of 5.00 × 10^-3 M HNO3 is needed to titrate 100.00 mL of 5.00 × 10^-3M Ca(OH)2 to the equivalence point?
A 380. mL container holds 0.146 g of Ne and an unknown amount of Ar at 35°C and a total pressure of 630. mmHg. Calculate the moles of Ar present.
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