Pending Review Microbiomes contribute to multiple ecosystem services by transforming organic matter in soil. Extreme shifts in the environment, such as drying-rewetting cycles during drought, can impact microbial metabolism of organic matter by altering their physiology and function. These...

The theoretical prediction of x-ray absorption spectra (XAS) has become commonplace in electronic structure theory. The ability to better model and understand L-edge spectra is of great interest in the study of transition metal complexes and a wide variety of solid state materials. However, until...

Predicting accurate nuclear magnetic resonance chemical shieldings relies upon cancellation of different types of errors between the theoretically calculated shielding constant of the analyte of interest and the reference. Often, the intrinsic error in computed shieldings due to basis sets...