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-budsWuhan
- ChangChunHeGuangZhou China
- ChemButadiene
- chrinide
- FreemanTheMaverick
- gabegomes
- gharib85
- jeanwsrFudan University
- lavroffrob13UCLA
- loniceras
- lucienwb
- lucy444sarah
- njustcodingjsNanjing,Jiangsu,PRC
- QuantumicGuyShanghai
- saihnii4
- WentongZhouUMass Lowell
- winnerwill
- xiaoruiDongMIT
- XiaoZhuoBaoYangZhouUniversity
- XinChenQCVisa pending, cannot work
- xu-xi
- yangwangmadridYangzhou University
- zyth0sDresden