Quantum similarity and density functional theory (DFT) constitute complementary approaches that provide deep insights into the electronic and structural properties of molecules. At its core, quantum ...

Density Functional Theory (DFT) has emerged as an indispensable tool in the study of molecular spectroscopy and structure analysis, providing detailed insights into the electronic and geometric ...

ANN ARBOR—For a long time, evolutionary biologists have thought that the genetic mutations that drive the evolution of genes and proteins are largely neutral: they're neither good nor bad, but just ...

Sum-frequency generation (SFG) is a powerful vibrational spectroscopy that can selectively probe molecular structures at ...