Atomic Numbers: An element's atomic number directly correlates to the number of protons located in the nucleus of its atoms. In fact, the number of protons in the nucleus is the defining characteristic by which an atom is assigned its element. ...
understand and apply physical and chemical concepts over extensive orders of magnitude in length-scale (and often time-scale). For example, understanding the atomic-level (sub-nm) details of charge absorption and separation, the multi-nanometer concepts of phase segregation or charge diffusion, and...
(1) H2SO4. As a strong oxidizing acid, changes in the dosage of H2SO4 affect the number of oxygen-containing functional groups of carbon materials, while also increasing the trace amount of impurities, such as sulfur [34]. (2) HNO3. HNO3 is the most commonly used liquid-phase oxidant,...
Researchers in the fields of biology and medicine have paid more attention to antiviral mechanisms at the biomacromolecular level [29,45,123,124], and those in the chemical and materials science fields have paid more attention to antiviral mechanisms at the physicochemical level [25,32,42,44]. ...
Additionally, most authors found that the gauge-independent atomic orbital (GIAO) method provides the best accuracy, but there have been two contemporary reports on improved accuracy using the continuous set of gauge transformations (CSGT) method [49,55]. Thus, it is difficult to choose which ...
When strategies such as Transformer models are used, there are more chances to account for synonyms natively without doing synonym-based query expansion, as would be done in the first approach45. Following the second approach, all sections of the OT-2 API documentation were embedded using OpenAI...
Because chemical pattern representations are relatively new, the number of interfaces where the user can graphically create patterns is limited. Examples of editors to handle SMARTS notation are MarvinSketch [29], JSME [44], SMARTeditor [45], and the PubChem’s Sketcher web editor [46,47]. ...
The general format for an isotope using this tool is , where X is an elemental symbol, A is the mass number, and Z is the atomic number. The Isotope tool can be used in much the same way as the Superscript and Subscript tools. The problem below asks us to complete the given ...
{H}}}\), Supplementary Figs.2and3). Particle-specific models are expected to outperform single NN approaches as the chemical complexity of the system is increased since a large number of particle types may selectively bias the model’s performance toward certain atoms or atomic pairs and thus ...
Along with the DEMOFs in HKUST-1 topology, intrinsic and intentionally created atomic-level defects in other types of MOFs (e.g., Zr–MOFs (UiO-66, UiO-67) [45, 47, 135,136,137,138], NU-125 [139], MOF-69 [35], MIL-53 [35]) have been the subject of numerous experimental inv...