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Project in Quantum Chemistry. The project is about The Self-Consistent Field (SCF) Method, Quantum Chemistry.
Explain everything in chapter as the Hartree - Fock. having examples is necessary beside the equations.
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Most of the alkali halides exhibit the "rock salt" structure shared by NaCl. Using the ionic radii Li 76pm, F 133pm, K 138pm, Br 196pm, show that LiF and KBr are consistent with the rule of thumb that the NaCl structure occurs for radius ratios be..
what is the molarity of phosphoric acid in a solution that is 84% by mass phosphoric acid and has a density of 1.87 g/ml?
A 27.0 L sample of nitrogen at 7.85 atm and 27 deg Celsius is simultaneously expanded to 63.4 L and heated to 35 deg Celsius. What is the new pressure of the gas
Calculate the concentrations of all species in a 1.75 M Na2SO3 (sodium sulfite) solution. The ionization constants for sulfurous acid are Ka1 = 1.4× 10-2 and Ka2 = 6.3× 10-8.
A solution of NH3 was prepared by diluting 8.29 mL of 27.62 wt% NH3 [density=0.89 g/mL] up to 564.0 mL. The molecular mass of NH3 is 17.0305 g/mol. Find the concentration of NH3 in M.
A sample of gas is compressed from 13.01 L to 4.27 L using a constant external pressure of 3.63 atm. At the same time, 1,453 J of heat flows into the surroundings. What is the internal energy change for the gas
A particular dye solution has an absorbance of 0.984 in a 2.0-cm pathlength cuvette. When the same solution is placed in another cuvette, it has an absorbance of 0.652. What is the pathlength of the second cuvette
A ground-state H atom absorbs a photon and makes a transition to n=4 energy level. It then emits a photon of energy 4.085 x 10^-19 Joules. What is the final energy and n value of the atom?
replacement compounds for the Freons have gone into production: HFC-134a (chemical formula: CH 2 FCF 3 ) and HCFC-124 (formula:CHClFCF 3 ) In 1991. Determine the molar masses of these two compounds
what volume would 7.6 grams of dry ice occupy if the density of solid co2dry ice is 1.561gml express your answer in
calculate the number of moles of magnetic iron oxide produced.
A 2.50 mL buffer solution is .250 mol in acetic acid and .250 mol in sodium acetate. (Ka=1.8x10 to the -5). What is the initial pH to the buffer solution
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