8 results for “topic:molecular-orbital-theory”
Molecular Orbital PACkage
Introduction to Quantum Mechanics for Chemists
An Educational Hartree-Fock Code in Python: Transparent Implementation of Gaussian-Type Integrals, SCF Procedures, and Geometry Optimization
A collection of interpretive chemical tools for analyzing outputs of the quantum chemistry calculations.
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.
Python package for visualizing molecular orbital diagrams
A tool to calculate and visualise molecular orbitals using RHF and DFT, written in MATLAB.
Enable autonomous satellite deployment and real-time orbital monitoring with AI-driven trajectory optimization and secure satellite logistics management.