Filter results
Content type
Publication Type
Tags
- (-) Microbiome (4)
- (-) Genomics (2)
- (-) Relativistic effects (2)
- Viruses (10)
- Health (8)
- Soil Microbiology (8)
- Virology (8)
- Virus (8)
- PerCon SFA (5)
- Ions (4)
- Nanoparticles (4)
- sequencing (4)
- Electrical energy (3)
- Energy (3)
- Fungi (3)
- Omics (3)
- RNA Sequence Analysis (3)
- Sodium (3)
- Synthetic Biology (3)
- Aggregation (2)
- Anions (2)
- Cations (2)
- Crystallization (2)
- Crystal Structure (2)
- Mass Spectrometry (2)
- Metagenomics (2)
- Polymer Materials (2)
- Scattering (2)
- Solubility (2)
- Spectroscopy (2)
Category
Category
Category
Viral communities detected from three large grassland soil metagenomes with historically different precipitation moisture regimes.
Category
"Deconstructing the Soil Microbiome into Reduced-Complexity Functional Modules" The soil microbiome represents one of the most complex microbial communities on the planet, encompassing thousands of taxa and metabolic pathways, rendering holistic analyses computationally intensive and difficult. Here...
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...
Real-time electronic structure methods provide an unprecedented view of electron dynamics and ultrafast spectroscopy on the atto- and femtosecond time scale with vast potential to yield new insights into the electronic behavior of molecules and materials. In this Review, we discuss the fundamental...
The radiolysis of liquid water and the radiation-matter interactions that happen in aqueous environments are important to the elds of chemistry, materials, and environmental sciences, as well as biological and physiological response to extreme conditions and medical treatments. The initial stage of...
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...