yangwangmadrid

yangwangmadrid's Stars

• 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:Python26232

• codechive/ccc

  **日历类（Chinese Calendar Class (CCC)）

  Language:JavaScript14302

• yangwangmadrid/mbfo

  A program for Maximum Bonding Fragment Orbital (MBFO) analysis

  5100

• yangwangmadrid/GenInfi

  Generating infinitenes, kekulenes and clarenes

  Language:Python3101

• yangwangmadrid/GenCNB

  Generate structures of carbon nanobelts

  Language:MATLAB2101