Point of Interest Molecular Force Fields

Within the last 20 years or so, MM potentials have been used to simulate d3mamic behavior of large molecules, often in biophysical problems, via a procedure called molecular dynamics (MD). Quantum effects are entirely neglected in MD, and instead the d5mamics of atoms (point masses) are obtained by integrating the classical equations of motion over 

Molecular mechanics and molecular dynamics (MD) are related but different. The main purpose of MD is modeling of dynamic molecular motion. However, MM can also provide imporfanf dynamic parameters, such as energy barriers between different conformers or steepness of a pofenfial energy surface around a local minimum. MD and MM are usually based on fhe same classical force fields, buf MD may also be based on quantum chemical methods like DPT. 

Verify Equation 7.13 with both Equation 7.12a and b by forming the second time derivative of x(t). 

What force constant for a harmonic spring gives rise to a vibrational frequency, co, of 10 S when a mass of 1 kg is attached What would be the frequency if such a spring were attached to a particle with the mass of (a) an electron, (b) a hydrogen atom, (c) a baseball  

Calculate the de Broglie wavelength for a free electron with a velocity 10% of the speed of light. What would be the speed of a 0.01 kg marble if it had the same de Broglie wavelength  

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