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...
Filter results
Content type
Tags
- Virology (79)
- Immune Response (53)
- Time Sampled Measurement Datasets (50)
- Gene expression profile data (47)
- Differential Expression Analysis (46)
- Homo sapiens (34)
- Mass spectrometry data (31)
- Multi-Omics (30)
- Viruses (26)
- Omics (25)
- Health (23)
- Virus (23)
- Soil Microbiology (21)
- MERS-CoV (18)
- Mus musculus (18)
- Mass Spectrometry (14)
- Synthetic (14)
- sequencing (13)
- West Nile virus (13)
- Genomics (12)
- Ebola (11)
- Influenza A (11)
- PerCon SFA (10)
- High Throughput Sequencing (9)
- Metagenomics (9)
- Resource Metadata (9)
- Microbiome (8)
- Proteomics (8)
- Machine Learning (7)
- Microarray (7)
Showing 1 - 2 of 2
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...