Download full-text PDF |
Source |
|---|---|
| http://dx.doi.org/10.1016/0010-4809(81)90004-5 | DOI Listing |
Publication Analysis
Top Keywords
Similar Publications
A prediction model for electrical strength of gaseous medium based on molecular reactivity descriptors and machine learning method.
J Mol Model
January 2025
Hubei Key Laboratory·for High-Efficiency-Utilization of Solar Energy and Operation, Control of Energy-Storage System, Hubei-University of Technology, Wuhan, 430068, China.
Context: Ionization and adsorption in gas discharge are similar to electrophilic and nucleophilic reactions. The molecular descriptors characterizing reactions such as electrostatic potential descriptors are useful in predicting the electrical strength of environmentally friendly gases. In this study, descriptors of 73 molecules are employed for correlation analysis with electrical strength.
View Article and Find Full Text PDFGenerative Model for Constructing Reaction Path from Initial to Final States.
J Chem Theory Comput
January 2025
Preferred Networks, Inc., Tokyo 100-0004, Japan.
Mapping the chemical reaction pathways and their corresponding activation barriers is a significant challenge in molecular simulation. Given the inherent complexities of 3D atomic geometries, even generating an initial guess of these paths can be difficult for humans. This paper presents an innovative approach that utilizes neural networks to generate initial guesses for reaction pathways based on the initial state and learning from a database of low-energy transition paths.
View Article and Find Full Text PDFComprehensive benefits evaluation of low impact development using scenario analysis and fuzzy decision approach.
Sci Rep
January 2025
Business School, Sichuan University, 610059, Chengdu, China.
The comprehensive benefit evaluation of LID based on multi-criteria decision-making methods faces technical issues such as the uncertainties and vagueness in hybrid information sources, which can affect the overall evaluation results and ranking of alternatives. This study introduces a multi-indicator fuzzy comprehensive benefit evaluation approach for the selection of LID measures, aiming to provide a robust and holistic framework for evaluating their benefits at the community level. The proposed methodology integrates quantitative environmental and economic indicators with qualitative social benefit indicators, combining the use of the Storm Water Management Model (SWMM) and ArcGIS for scenario-based analysis, and the use of hesitant fuzzy language sets and Technique for Order of Preference by Similarity to Ideal Solution (TOPSIS) for decision-making.
View Article and Find Full Text PDFDisrupting diastole toward consistency in systole: Iterations to increase CCTA protocol standardization.
J Cardiovasc Comput Tomogr
January 2025
Cardiovascular Imaging, Massachusetts General Hospital, United States; Operations Analytics, Radiology, Harvard Medical School, United States. Electronic address:
Early prediction of post-pancreatectomy acute pancreatitis after pancreaticoduodenectomy based on serum C-reactive protein.
Pancreatology
January 2025
Department of General Surgery, Pancreatic Disease Center, Ruijin Hospital Affiliated to Shanghai Jiao Tong University School of Medicine, Shanghai, China. Electronic address:
Background: Post-pancreatectomy acute pancreatitis (PPAP) is an early acute inflammatory process of the pancreatic remnant that is associated with a series of downstream pancreas-specific complications. This study aimed to investigate the relationship between postoperative serum C-reactive protein (CRP) levels and the occurrence of PPAP after pancreaticoduodenectomy (PD).
Methods: Consecutive patients who underwent PD between January 1, 2020, and May 31, 2022, were retrospectively analyzed.
Want AI Summaries of new PubMed Abstracts delivered to your In-box?
Enter search terms and have AI summaries delivered each week - change queries or unsubscribe any time!