Filter results
Content type
Publication Type
Tags
- (-) Fungi (3)
- (-) Relativistic effects (2)
- Viruses (10)
- Health (8)
- Soil Microbiology (8)
- Virology (8)
- Virus (8)
- PerCon SFA (5)
- Microbiome (4)
- sequencing (4)
- Electrical energy (3)
- Ions (3)
- Nanoparticles (3)
- Omics (3)
- RNA Sequence Analysis (3)
- Sodium (3)
- Synthetic Biology (3)
- Anions (2)
- Electron density (2)
- Energy (2)
- Excited states (2)
- Genomics (2)
- High Throughput Sequencing (2)
- Mass Spectrometry (2)
- Metagenomics (2)
- Nuclear magnetic resonance spectroscopy (2)
- Sorghum bicolor (2)
- Spectroscopy (2)
- spatial variability (1)
- temperate forest (1)
Category
Soil fungi facilitate the translocation of inorganic nutrients from soil minerals to other microorganisms and plants. This ability is particularly advantageous in impoverished soils, because fungal mycelial networks can bridge otherwise spatially disconnected and inaccessible nutrient hotspots...
Category
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...
The accurate description of excited vibronic states is important for modeling a wide range of photoinduced processes. The nuclear–electronic orbital (NEO) approach, which treats specified protons on the same level as the electrons, can describe excited electronic–protonic states. Herein the...
The quantum mechanical treatment of both electrons and nuclei is crucial in nonadiabatic dynamical processes such as proton-coupled electron transfer. The nuclear−electronic orbital (NEO) method provides an elegant framework for including nuclear quantum effects beyond the Born–Oppenheimer...