Computer quadrature programs for the determination of best-fit acid dissociation and complex formation constants

P. D. Siders; J. K. Romary

doi:10.1016/0022-1902(79)80442-X

Computer quadrature programs for the determination of best-fit acid dissociation and complex formation constants

P. D. Siders
, J. K. Romary

Chemistry & Biochemistry

Research output: Contribution to journal › Article › peer-review

1 Scopus citations

Abstract

Two new computer programs are introduced which determine "best-fit" acid dissociation constants for di-, tri- and tetra-dentate ligands, and "best-fit" complex formation constants for complexes having a maximum order of two, three, or four. The programs find the constants which minimize the numerically integrated area between the experimental and theoretical (Bjerrum) formation curves.

Original language	English (US)
Pages (from-to)	547-548
Number of pages	2
Journal	Journal of Inorganic and Nuclear Chemistry
Volume	41
Issue number	4
DOIs	https://doi.org/10.1016/0022-1902(79)80442-X
State	Published - 1979

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10.1016/0022-1902(79)80442-X

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abstract = "Two new computer programs are introduced which determine {"}best-fit{"} acid dissociation constants for di-, tri- and tetra-dentate ligands, and {"}best-fit{"} complex formation constants for complexes having a maximum order of two, three, or four. The programs find the constants which minimize the numerically integrated area between the experimental and theoretical (Bjerrum) formation curves.",

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AU - Siders, P. D.

AU - Romary, J. K.

PY - 1979

Y1 - 1979

N2 - Two new computer programs are introduced which determine "best-fit" acid dissociation constants for di-, tri- and tetra-dentate ligands, and "best-fit" complex formation constants for complexes having a maximum order of two, three, or four. The programs find the constants which minimize the numerically integrated area between the experimental and theoretical (Bjerrum) formation curves.

AB - Two new computer programs are introduced which determine "best-fit" acid dissociation constants for di-, tri- and tetra-dentate ligands, and "best-fit" complex formation constants for complexes having a maximum order of two, three, or four. The programs find the constants which minimize the numerically integrated area between the experimental and theoretical (Bjerrum) formation curves.

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UR - https://www.scopus.com/pages/publications/49249153600#tab=citedBy

U2 - 10.1016/0022-1902(79)80442-X

DO - 10.1016/0022-1902(79)80442-X

M3 - Article

AN - SCOPUS:49249153600

SN - 0022-1902

VL - 41

SP - 547

EP - 548

JO - Journal of Inorganic and Nuclear Chemistry

JF - Journal of Inorganic and Nuclear Chemistry

IS - 4

ER -

Computer quadrature programs for the determination of best-fit acid dissociation and complex formation constants

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