yangwangmadrid

A theoretical chemist and a programming monkey

Yangzhou UniversityYangzhou, China

Pinned Repositories

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.
Language:Python25 2 32
GenCNB
Generate structures of carbon nanobelts
Language:MATLAB2 1 01
GenInfi
Generating infinitenes, kekulenes and clarenes
Language:Python3 1 01
mbfo
A program for Maximum Bonding Fragment Orbital (MBFO) analysis
5 1 00

yangwangmadrid's Repositories

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.
Language:Python25 2 32
yangwangmadrid/mbfo
A program for Maximum Bonding Fragment Orbital (MBFO) analysis
5 1 00
yangwangmadrid/GenInfi
Generating infinitenes, kekulenes and clarenes
Language:Python3 1 01
yangwangmadrid/GenCNB
Generate structures of carbon nanobelts
Language:MATLAB2 1 01