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Assignment: 1) Use semiempirical calculations to predict th...

Assignment: 1) Use semiempirical calculations to predict the relative stability of the keto and enol forms of (C6H5)CH2COC2H5. 2) Use semiempirical calculations to compute ^H for the reaction CH3COOH + (H2O)n CH3COO- + H2n+1 O+. Assuming AS z 0, what do you predict about the acid dissociation ...

1. (10 pts) For a harmonic oscillator with unit mass and ang...

1. (10 pts) For a harmonic oscillator with unit mass and angular frequency in the atomic units, m = w = h = 1, the eigenfunction is given by where An is the normalization constant and Hn(x) is the Hermite polynomial. (a) Calculate expectation values for ² and i22 given that n = 0. (b) Prove ...

5-6. The quantum mechanical energy of a particle confined to...

5-6. The quantum mechanical energy of a particle confined to a rectangular parallelepiped of lengths a, b, and c is Show that the translational partition function for this geometry is the same as that of a cube of the same volume. 5-19. Calculate Qetee for a hydrogen atom. The energy levels are ...

Write a detailed review of the following paper with expansio...

Write a detailed review of the following paper with expansion on the quantum mechanical aspects of the paper. The review should provide a decent summary of the background and application, but should then focus on the computations and quantum mechanical aspects of the paper. The computational and...

1. Explain the significance of each quantum number. 2. Exp...

1. Explain the significance of each quantum number. 2. Explain where n, ml, and l appear naturally in the determination of the energy or wavefunction of an analytical problem. 3. Explain how we know we must include spin in the wavefunction of atoms like He. Why isn’t spin included in the H...

Quantum Mechanics and Spectroscopy 1. The speed of a 2.0 g ...

Quantum Mechanics and Spectroscopy 1. The speed of a 2.0 g projectile is known to within 10-6 m s -1 . Calculate the minimum uncertainty in its position. 2. When UV light of wavelength 165 nm strikes a metal surface, electrons are ejected with a speed of 1.24x106 m s-1 . (i) Calculate the sp...

1) a) Sketch generic potential energy curve for diatomic mol...

1) a) Sketch generic potential energy curve for diatomic molecule. Label dissociation energy and zero-point energy. Label also the energy axis, and explain physically what the bottom of the well tell you and how you arrive at the conclusion. b) During Oğuzʼs seminar this week, we learned that he c...

Write explanation to the following questions: • unders...

Write explanation to the following questions: • understand the relationship between symmetry and orbital degeneracy • understand the difference between a molecular orbital energy and a molecular electronic state • understand the quantum mechanical origins of aromaticity. • kn...

1) Consider a particle in a cubic box. What is the degenerac...

1) Consider a particle in a cubic box. What is the degeneracy of the level that has an energy three times that of the lowest level? 2) For a harmonic oscillator consisting of a particle of mass 1.33 x 10-25 kg, the difference in adjacent energy levels is 4.82 x 10-21 J. Calculate the force consta...

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