物理驱动的异常检测和纠正用于光谱参数估计

A covalently bonded heteronuclear diatomic molecule can be modeled as two vibrating masses connected by a spring. The vibrational frequency of the bond can be expressed using an equation derived from Hooke's law, which describes how the force applied to stretch or compress a spring is proportional to the displacement of the spring. In this case, the atoms behave like masses, and the bond acts like a spring.
According to Hooke's law, the vibrational frequency is directly proportional to...

The Doppler effect has several practical, real-world applications. For instance, meteorologists use Doppler radars to interpret weather events based on the Doppler effect. Typically, a transmitter emits radio waves at a specific frequency toward the sky from a weather station. The radio waves bounce off the clouds and precipitation and travel back to the weather station. The radio frequency of the waves reflected back to the station appears to decrease if the clouds or precipitation are moving...

Spin systems where the difference in chemical shifts of the coupled nuclei is greater than ten times J are called first-order spin systems. These nuclei are weakly coupled, and their chemical shifts and coupling constant can generally be estimated from the well-separated signals in the spectrum.
As Δν decreases and the signals move closer, the doublets appear increasingly distorted. The intensities of the inner lines increase at the cost of those of the outer lines as the signals are...

When magnetic nuclei in a sample achieve resonance and undergo relaxation, the signal detected in NMR is an approximately exponential free induction decay. Fourier transform of an exponential decay yields a Lorentzian peak in the frequency domain. Lorentzian peaks in an NMR spectrum are defined by their amplitude, full width at half maximum, and position, where the peak width is governed by the spin-spin relaxation time alone. In real experiments, however, the applied magnetic field is rendered...

Consider a component AB undergoing a linear motion. Along with a linear motion, point B also rotates around point A. To comprehend this complex movement, position vectors for both points A and B are established using a stationary reference frame.
However, to express the relative position of point B relative to point A, an additional frame of reference, denoted as x'y', is necessary. This additional frame not only translates but also rotates relative to the fixed frame, making it...

Interference leads to systematic error in atomic absorption (AA) measurements by enhancing or diminishing the analytical signal or the background. These interferences can be grouped into three main categories: spectral interference, chemical interference, and physical interference.
Spectral interference occurs when signals from other elements or molecules overlap with the analyte signal, falsely elevating or masking the analyte's absorbance. This interference can be corrected using Zeeman,...