quantum chemistry calculation


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Electromagnetic Radiation and Energy(Planck's quantum theory)
In 1900, Max Planck presented the results of his famous black body radiation experiments, which showed that light has a dual character, behaving like a particle as well as a wave. He gave the Quantum Theory of Radiation explaining electromagnetic radiation and energy. Its main features ..
Quantum Numbers
The four numbers, which are required to specify the position and energy of an electron in an atom are called quantum numbers. These are - principal quantum number (n), angular quantum number (l), magnetic quantum number (m) and spin quantum number ..
Quantum Numbers
Quantum Numbers - Schrodinger wave equation, when solved for hydrogen atom gives mathematical Y functions, which describe the allowed energy states in an atom. It is observed that physical meaningful solutions required three constants n, l and m, which are called quantum numbers..
Quantum Numbers
Quantum Numbers - Orbitals of electrons in atoms differ in size shape and orientation. Definite energies and angular movements characterize atomic orbitals. The state of an electron in any atom is defined by certain permissible values of energy and angular momentum, which describe its loc..
Quantum Numbers
Orbitals of electrons in atoms differ in size shape and orientation. Definite energies and angular movements characterize atomic orbitals. The state of an electron in any atom is defined by certain permissible values of energy and angular momentum, which describe its location with respect to ..
Calculations
Let, The mass of the acid dissolved be = W g Volume of alkali used for complete neutralization of acid solution = V 1 mL Normality of the alkali solution = N 1 Then, we can write, V 1 mL of alkali solution having normality N 1 = Wg acid From the definition, 1000 mL of 1N alkali solution = 1..
Calculations
Let the mass of platinic chloride salt be = W g The mass of platinum residue left = x g From the molar stoichiometry, Number of mol of B 2 H 2 PtCl 6 = Number of mol of Pt Or If E is the equivalent mass of the organic base, Then molecular mass of the salt (B 2 H 2 PtCl 6 ) = 2E + 2 + 195 + 213 ..
Calculation
formula to calculate mass of water vapour in unknown volume of air Mass of U-tube with contents before experiment = a grams Mass of U-tube with contents after experiment = b grams Hence, mass of water vapour absorbed = (b - a) g Volume of air = x litres..
Calculation
percentage of nitrogen Let, Mass of the organic compound = W g Volume of the standard acid required for complete neutralization of the evolved ammonia = V mL Normality of the standard solution of acid = N From the law of equivalence (normality equation), 1000 mL of 1 N acid = 1000 mL of 1 N NH 3 = 17g NH 3 = 14 g ni..
Calculations
determination of sulphur  mass percentage Let, The mass of the organic compound be = W g Mass of the precipitate of BaSO 4 = W 1 g From stoichiometry, BaSO 4 = S 1 mol 1 mol 1 molecular mass 1 atomic mass 233 g 32 g Therefore, ..
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