Nuclear magnetic resonanceNuclear magnetic resonance (NMR) is a physical phenomenon in which nuclei in a strong constant magnetic field are perturbed by a weak oscillating magnetic field (in the near field) and respond by producing an electromagnetic signal with a frequency characteristic of the magnetic field at the nucleus. This process occurs near resonance, when the oscillation frequency matches the intrinsic frequency of the nuclei, which depends on the strength of the static magnetic field, the chemical environment, and the magnetic properties of the isotope involved; in practical applications with static magnetic fields up to ca.
Nuclear magnetic resonance spectroscopyNuclear magnetic resonance spectroscopy, most commonly known as NMR spectroscopy or magnetic resonance spectroscopy (MRS), is a spectroscopic technique to observe local magnetic fields around atomic nuclei. This spectroscopy is based on the measurement of absorption of electromagnetic radiations in the radio frequency region from roughly 4 to 900 MHz. Absorption of radio waves in the presence of magnetic field is accompanied by a special type of nuclear transition, and for this reason, such type of spectroscopy is known as Nuclear Magnetic Resonance Spectroscopy.
Molecular dynamicsMolecular dynamics (MD) is a computer simulation method for analyzing the physical movements of atoms and molecules. The atoms and molecules are allowed to interact for a fixed period of time, giving a view of the dynamic "evolution" of the system. In the most common version, the trajectories of atoms and molecules are determined by numerically solving Newton's equations of motion for a system of interacting particles, where forces between the particles and their potential energies are often calculated using interatomic potentials or molecular mechanical force fields.
RotationRotation or rotational motion is the circular movement of an object around a central line, known as axis of rotation. A plane figure can rotate in either a clockwise or counterclockwise sense around a perpendicular axis intersecting anywhere inside or outside the figure at a center of rotation. A solid figure has an infinite number of possible axes and angles of rotation, including chaotic rotation (between arbitrary orientations), in contrast to rotation around a axis.
Rotation around a fixed axisRotation around a fixed axis or axial rotation is a special case of rotational motion around a axis of rotation fixed, stationary, or static in three-dimensional space. This type of motion excludes the possibility of the instantaneous axis of rotation changing its orientation and cannot describe such phenomena as wobbling or precession. According to Euler's rotation theorem, simultaneous rotation along a number of stationary axes at the same time is impossible; if two rotations are forced at the same time, a new axis of rotation will result.
Energy profile (chemistry)In theoretical chemistry, an energy profile is a theoretical representation of a chemical reaction or process as a single energetic pathway as the reactants are transformed into products. This pathway runs along the reaction coordinate, which is a parametric curve that follows the pathway of the reaction and indicates its progress; thus, energy profiles are also called reaction coordinate diagrams.
Rotational energyRotational energy or angular kinetic energy is kinetic energy due to the rotation of an object and is part of its total kinetic energy. Looking at rotational energy separately around an object's axis of rotation, the following dependence on the object's moment of inertia is observed: where The mechanical work required for or applied during rotation is the torque times the rotation angle. The instantaneous power of an angularly accelerating body is the torque times the angular velocity.
Retrograde and prograde motionRetrograde motion in astronomy is, in general, orbital or rotational motion of an object in the direction opposite the rotation of its primary, that is, the central object (right figure). It may also describe other motions such as precession or nutation of an object's rotational axis. Prograde or direct motion is more normal motion in the same direction as the primary rotates. However, "retrograde" and "prograde" can also refer to an object other than the primary if so described.
Equations of motionIn physics, equations of motion are equations that describe the behavior of a physical system in terms of its motion as a function of time. More specifically, the equations of motion describe the behavior of a physical system as a set of mathematical functions in terms of dynamic variables. These variables are usually spatial coordinates and time, but may include momentum components. The most general choice are generalized coordinates which can be any convenient variables characteristic of the physical system.
Spin–spin relaxationIn physics, the spin–spin relaxation is the mechanism by which Mxy, the transverse component of the magnetization vector, exponentially decays towards its equilibrium value in nuclear magnetic resonance (NMR) and magnetic resonance imaging (MRI). It is characterized by the spin–spin relaxation time, known as T2, a time constant characterizing the signal decay. It is named in contrast to T1, the spin–lattice relaxation time.
