Determining the molecular structure of organic compounds is very important for understanding the material world at the molecular level and promoting the development of modern organic chemistry. The use of modern instrumental analysis methods can quickly and accurately determine the molecular structure of organic compounds. The most widely used methods for determining molecular structure in organic chemistry are the four major spectroscopic methods: ultraviolet spectroscopy, infrared spectroscopy, nuclear magnetic resonance and mass spectrometry. Ultraviolet and visible spectrum (ultraviolet and visible spectrum) is abbreviated as UV. UV Spectrum Prediction https://www.computabio.com/uv-....spectrum-prediction-

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Umbrella sampling (and other techniques) can speed up sampling by "flattening" those hills and ridges, thus preventing MD from accessing certain states. In umbrella sampling, the energy pattern is "flattened" by adding artificial "umbrella" potential that should "mirror" and thus eliminate practical obstacles. Therefore, the umbrella potential involves only a few (usually one to three) degrees of freedom, often called collective variables or reaction coordinates. Umbrella Sampling Simulation https://www.computabio.com/umb....rella-sampling-simul

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