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At this page some small programs written by G. Andrienko are collected. These programs are freely distributed with full Delphi source code (however, the code is rather formatless):
Smoother: a simple program for processing table functions: spline interpolation, Lagrangian interpolation, polynomial fitting, etc. Download the program with Delphi source code: Smoother.zip - WinZip archive, 323 KB.
PorphRMS: a program for root-mean-square processing of NMR spectral titrations data. Can derive equilibrium constants for a system in which these reactions take place: P+L=PL P+2L=PL2 Here P, PL, PL2 are macroheterocycle and its complexes with ligands. The input data is a set of measured chemical shifts in solutions with different ligand concentrations. The program optimizes equilibrium constants and chemical shifts of individual components (P, PL, PL2) for best fitting experimental chemical shifts. PorphRMS.zip - 360 KB.
TensorDiag: a simple program which diagonalizes a tensor (XX, XY, etc) calculating its eigenvectors and eigenvalues. TensorDiag.zip - 257 KB.
BatchMaker: a very simple program for creating batch jobs for Gaussian computations. BMaker.zip - 213 KB.
TransTable: a very simple program, which exchanges columns and rows in a text table. TransTable.zip - 205 KB. | |
