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Fundamentals and Analytical Applications of Multiwfn in Computational Chemistry
"Multiwfn is a comprehensive, multifunctional program designed for the post-processing and analysis of wavefunctions generated from quantum chemical calculations. It serves as a bridge between abstract mathematical results and physical chemical insights, allowing researchers to visualize bonding, quantify electronic properties, and perform topological analyses of molecular systems across various levels of theory. The Evolution and Role of Multiwfn in Modern Chemistry In the field of computational chemistry, the primary goal of software like Gaussian, ORCA, or NWChem is to solve the Schrödinger equation for a given molecular system. The output..."
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