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Multiwfn
Multiwfn 3.7   
... overlap integral between alpha and beta orbital, monitoring SCF convergence process, generating Gaussian input file with initial guess fr ...
Open Source
tags: wavefunction analysis, topology analysis, molecular structure, analysis, analize, wavefunction

Fast chromatogram viewer
Fast chromatogram viewer 1.3   
www.DnaBaser.com Fasta chromatogram viewer Description: This freeware tool will list all chromatogram files (SCF, ABI, AB1, AB) in the current folder. You can view the chromatogram by simply clicking a file. ...
Freeware
tags: Multi-FASTA, muti, fasta, multiFasta, converter, format

MOPlot
MOPlot 1.93   
... switch in the "MO" menu), or CASSCF calculations. SCF MOs are ordered by energies, CASSCF MOs or natural orbitals are ordered by occupation numbers. · Normal vibrations, both as displacement ...
Freeware
tags: molecular orbital plotting, compute geometric parameters, molecular orbitals, visualization, molecule, orbital
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