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Computer simulation of magnetic resonance spectra employing homotopy

机译:利用同态性的磁共振谱的计算机模拟

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摘要

Electron Paramagnetic Resonance, or EPR, deals with the resonant absorption of microwave radiation by a paramagnetic substance within a static magnetic field. Molecules have electrons moving around them in some kind of orbit, where each orbit is characterised by a stransition level energy, (ie. the energy an electorn requires to be in that orbit), and a wavefunction describing the shape of the orbit. These orbits, and hence the transition level energy and the wavefunction are affected by the strength of the applied magnetic field. Microwave radiation will be absorbed only if the energy of the radiation exactly matches the difference between the two energy level. The energy of microwave radiation is related to its frequency by Planck's Law, E chemical bounds H f (where H is Planck's constant).
机译:电子顺磁共振(EPR)处理静磁场中顺磁性物质对微波辐射的共振吸收。分子具有在某种轨道上移动的电子,其中每个轨道的特征是过渡能级(即电子需要在该轨道上的能级)和描述该轨道形状的波函数。这些轨道以及因此的过渡能级和波函数受所施加磁场的强度影响。仅当辐射的能量与两个能级之间的差完全匹配时,微波辐射才会被吸收。微波辐射的能量与普朗克定律相关,它的频率与E的化学界为H f(其中H为普朗克常数)。

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