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one, B 0, is constant in time, the other one, ΔB z (t), may be time dependent. It is present in magnetic resonance imaging and helps with the spatial decoding of the NMR signal. M(t) × B(t) is the cross product of these two vectors. M 0 is the steady state nuclear magnetization (that is, for example, when t → ∞); it is in the z direction.
Rather than relying only on experimental data, the BKS potential is derived by combining ab initio quantum chemistry methods on small silica clusters to describe accurate interaction between nearest-neighbors, which is the function of accurate force field. The experimental data is applied to fit larger scale force information beyond nearest ...
A rocket's required mass ratio as a function of effective exhaust velocity ratio. The classical rocket equation, or ideal rocket equation is a mathematical equation that describes the motion of vehicles that follow the basic principle of a rocket: a device that can apply acceleration to itself using thrust by expelling part of its mass with high velocity and can thereby move due to the ...
A force field is used to minimize the bond stretching energy of this ethane molecule.. Molecular mechanics uses classical mechanics to model molecular systems. The Born–Oppenheimer approximation is assumed valid and the potential energy of all systems is calculated as a function of the nuclear coordinates using force fields.
For example, the atomic mass constant is exactly known when expressed using the dalton (its value is exactly 1 Da), but the kilogram is not exactly known when using these units, the opposite of when expressing the same quantities using the kilogram.
Part of force field of ethane for the C-C stretching bond. In the context of chemistry, molecular physics, physical chemistry, and molecular modelling, a force field is a computational model that is used to describe the forces between atoms (or collections of atoms) within molecules or between molecules as well as in crystals.
When examining a system computationally one may be interested in knowing how the free energy changes as a function of some inter- or intramolecular coordinate (such as the distance between two atoms or a torsional angle). The free energy surface along the chosen coordinate is referred to as the potential of mean force (PMF). If the system of ...
where p i = momentum of particle i, F ij = force on particle i by particle j, and F E = resultant external force (due to any agent not part of system). Particle i does not exert a force on itself. Torque. Torque τ is also called moment of a force, because it is the rotational analogue to force: [8]