The micromechanical properties of organic matter (OM) and organic pore structures in the over-mature stage are crucial for determining shale reservoir quality and assessing shale gas resource ...

We demonstrate a machine learning-based approach which predicts the properties of crystal structures following relaxation based on the unrelaxed structure. Use of crystal graph singular values reduces ...

Using spectroscopic and analytical data in organic structure analysis -- Introduction to nuclear magnetic resonance -- Interpretation and use of proton and carbon chemical shifts -- Interpretation and ...

Prediction of crystal structures of organic molecules is a critical task in many industries, especially in pharmaceuticals and design of functional materials. In pharmaceuticals, crystal structures ...