Topic: molecular-orbital-theory Goto Github
Some thing interesting about molecular-orbital-theory
Some thing interesting about molecular-orbital-theory
molecular-orbital-theory,Python package for evaluating integrals of Gaussian type orbitals in electronic structure calculations
User: ifilot
Home Page: https://pyqint.imc-tue.nl
molecular-orbital-theory,A tool to calculate and visualise molecular orbitals using RHF and DFT, written in MATLAB.
User: jwa7
molecular-orbital-theory,Molecular Orbital PACkage
Organization: openmopac
Home Page: http://openmopac.net
molecular-orbital-theory,Introduction to Quantum Mechanics for Chemists
Organization: qc-edu
Home Page: https://qchem.qc-edu.org/main_content.html
molecular-orbital-theory,A collection of interpretive chemical tools for analyzing outputs of the quantum chemistry calculations.
Organization: theochem
Home Page: https://chemtools.org/
molecular-orbital-theory,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.
User: yangwangmadrid
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