yangwangmadrid/EzReson
An efficient toolkit for chemical resonance analysis based on quantum chemistry calculations. It implements the quantitative theory of resonance by expansion of the wave function from a DFT/HF calculation in terms of those of the Lewis structures.
PythonGPL-3.0
Stargazers
- 1234zouXiamen, China
- ansatzXQuanMol Tech
- chain-buds
- ChangChunHeGuangZhou China
- ChemButadiene
- chenxin199261Rutgers University Newark
- chrinide
- FreemanTheMaverick
- gabegomes
- gharib85
- hebrewsnablaFudan University
- lavroffrob13
- loniceras
- lucienwb
- lucy444sarah
- njustcodingjsNanjing,Jiangsu,PRC
- QuantumicGuyShanghai
- saihnii4
- WentongZhouUMass Lowell
- winnerwill
- xiaoruiDongMIT
- XiaoZhuoBao
- xu-xi
- yangwangmadridYangzhou University
- zyth0sDresden