Results 261 to 270 of about 27,651,836 (340)

Energy decomposition analysis

WIREs Computational Molecular Science, 2020
The energy decomposition analysis (EDA) is a powerful method for a quantitative interpretation of chemical bonds in terms of three major expressions.
Moritz von Hopffgarten, G. Frenking
semanticscholar   +2 more sources

Generalized Kohn‐Sham energy decomposition analysis and its applications

Wiley Interdisciplinary Reviews: Computational Molecular Science, 2020
Energy decomposition analysis (EDA) methods bridge the gap between electronic structure calculations and conceptual interpretations of molecular interactions.
Peifeng Su, Zhen Tang, Wei Wu
semanticscholar   +3 more sources

Risk Decomposition Analysis

SSRN Electronic Journal, 2023
Arthur M. Berd
semanticscholar   +2 more sources

Simple, Efficient, and Universal Energy Decomposition Analysis Method Based on Dispersion-Corrected Density Functional Theory.

Journal of Physical Chemistry A, 2023
Energy decomposition analysis (EDA) is an important class of methods to explore the nature of interaction between fragments in a chemical system. It can decompose the interaction energy into different physical components to understand the factors that ...
T. Lu, Qinxue Chen
semanticscholar   +1 more source

Does technical progress curb India's carbon emissions? A novel approach of combining extended index decomposition analysis and production-theoretical decomposition analysis.

Journal of Environmental Management, 2022
Technical progress is one of the best strategies to meet the dual challenges of economic growth and carbon emissions control in developing countries such as India.
Qiang Wang, Xinyu Han, Rongrong Li
semanticscholar   +1 more source

XEDA, a fast and multipurpose energy decomposition analysis program

Journal of Computational Chemistry, 2021
A fast and multipurpose energy decomposition analysis (EDA) program, called XEDA, is introduced for quantitative analysis of intermolecular interactions.
Zhen Tang, Yanlin Song, Shu Zhang, Wen Wang, Yuan Xu, Di Wu, Wei Wu, Peifeng Su   +7 more
semanticscholar   +1 more source

Contributions to sector-level carbon intensity change: An integrated decomposition analysis

Energy Economics, 2018
Qunwei Wang, Ye Hang, B. Su, P. Zhou
semanticscholar   +3 more sources

China's coal consumption in a globalizing world: Insights from Multi-Regional Input-Output and structural decomposition analysis.

Science of the Total Environment, 2020
The growth of global carbon emissions is largely driven by coal-burning in China. China has consumed approximately half of global coal; as such, limiting its coal demand is important for curbing carbon emissions in the country and around the world ...
Qiang Wang, Xiaoxin Song, Yi Liu
semanticscholar   +1 more source

Decompositional Odor Analysis Database

Journal of Forensic and Sciences, 2004
Abstract This study, conducted at the University of Tennessee's Anthropological Research Facility (ARF), describes the establishment of the Decompositional Odor Analysis (DOA) Database for the purpose of developing a man-portable, chemical sensor capable of detecting clandestine burial sites of human remains, thereby mimicking canine ...
AA Vass, RR Smith, CV Thompson, MN Burnett, DA Wolf, JA Synstelien, N Dulgerian, BA Eckenrode   +7 more
openaire   +3 more sources

Pulse decomposition analysis in photoplethysmography imaging [PDF]

Physiological Measurement, 2020
Abstract Objective: Photoplethysmography imaging (PPGI) has gained immense attention over the last few years but only a few works have addressed morphological analysis so far. Pulse wave decomposition (PWD), i.e. the decomposition of a pulse wave by a varying number of kernels, allows for such analyses.
Fleischhauer V., Ruprecht N., Sorelli M., Bocchi L., Zaunseder S.   +4 more
openaire   +2 more sources