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Cross-polarization (CP), originally published as proton-enhanced nuclear induction spectroscopy (PENIS) [1] [2] is a solid-state nuclear magnetic resonance (ssNMR) technique to transfer nuclear magnetization from different types of nuclei via heteronuclear dipolar interactions.
Crossover experiments allow for experimental study of a reaction mechanism. Mechanistic studies are of interest to theoretical and experimental chemists for a variety of reasons including prediction of stereochemical outcomes, optimization of reaction conditions for rate and selectivity, and design of improved catalysts for better turnover number, robustness, etc. [6] [7] Since a mechanism ...
This series of experiments, each with a different value of t 1, allows for the detection of chemical shifts from nuclei that may not be observed directly in a one-dimensional spectrum. As t 1 is incremented, cross-peaks are produced in the resulting 2D spectrum, representing interactions like coupling or spatial proximity between nuclei. This ...
Polarization can be used to filter out unwanted signals, such as jamming. If a jammer and receiver do not have the same polarization, the jamming signal will incur a loss that reduces its effectiveness. The four basic polarizations are linear horizontal, linear vertical, right-hand circular, and left-hand circular.
Consider the case of interaction of two perpendicularly polarized waves in nonlinear media with cubic nonlinearity. [1] The equations describing the self phase modulation of the fundamental wave A and the generation of new wave perpendicularly polarized wave B in condition that |B| << |A| (i.e. when the depletion of the fundamental wave is neglected, self and cross phase modulation of wave B ...
In quantum mechanics, a quantum eraser experiment is an interferometer experiment that demonstrates several fundamental aspects of quantum mechanics, including quantum entanglement and complementarity. [1] [2]: 328 The quantum eraser experiment is a variation of Thomas Young's classic double-slit experiment. It establishes that when action is ...
Ab initio quantum chemistry methods are a class of computational chemistry techniques based on quantum chemistry that aim to solve the electronic Schrödinger equation. [1] Ab initio means "from first principles" or "from the beginning", meaning using only physical constants [ 2 ] and the positions and number of electrons in the system as input.
G4 is a compound method in spirit of the other Gaussian theories and attempts to take the accuracy achieved with G3X one small step further. This involves the introduction of an extrapolation scheme for obtaining basis set limit Hartree-Fock energies, the use of geometries and thermochemical corrections calculated at B3LYP/6-31G(2df,p) level, a ...