A systematic and comprehensive semiempirical, Hartree-Fock (HF) ab initio, and B3LYP density functional theory (DFT) study was conducted on the relative thermodynamic properties of various linear and ...
A set of functions are presented for Octave/MATLAB that allow easy, consistent, and properly scaled DFT/FFT analysis of signals and noise. The techniques and functions presented are easily translated ...
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