Critical evaluation of curve fitting in infrared spectrometry

[1]  P. Arnaud,et al.  Analyse mathématique de spectres ir par calcul automatique: II. Influence d'absorptions mineures simulées sur la décomposition en bandes simples de spectres complexes non résolus, dans la région v(oh) , 1968 .

[2]  P. Arnaud,et al.  Analyse mathématique de spectres ir par calcul automatique: I. Influence d'erreurs simulées sur la ligne de base dans la décomposition en bandes simples de spectres complexes non résolus, dans la région v(OH) , 1968 .

[3]  E. Hagaman,et al.  Carbon-13 nuclear magnetic resonance spectral analysis of tobramycin and related antibiotics. , 1974, Journal of the American Chemical Society.

[4]  M. Gordon,et al.  Molecular orbital theory of the electronic structure of organic compounds. I. Substituent effects and dipole moments. , 1967, Journal of the American Chemical Society.

[5]  K. L. Andrew,et al.  Optical Study of the Hyperfine Structure of the Rubidium Resonance Lines , 1971 .

[6]  T. Gibb,et al.  Computer Resolution of Unresolved Convoluted Gas-Chromatographic Peaks , 1970 .

[7]  Joseph Meiron,et al.  Damped Least-Squares Method for Automatic Lens Design , 1965 .

[8]  L. M. Schwartz.  Digital method of spectral peak analysis , 1971 .

[9]  J. McIver,et al.  INDO [intermediate neglect of differential overlap] perturbation theory of magnetic shielding constants. Cabon-13 chemical shifts , 1972 .

[10]  J. Plíva,et al.  Mathematical resolution of overlapping spectrum lines by the method of damped least squares , 1965 .

[11]  H. Stone.  Mathematical Resolution of Overlapping Spectral Lines , 1962 .

[12]  H. Clarke,et al.  The Action of Formaldehyde on Amines and Amino Acids1 , 1933 .

[13]  R. Fraser,et al.  Resolution of overlapping bands. Functions for simulating band shapes , 1969 .

[14]  E. Grushka,et al.  Slope analysis for recognition and characterization of strongly overlapped chromatographic peaks , 1972 .

[15]  R. Jones.  The measurement of infrared spectra with digitally recording spectrophotometers , 1969 .

[16]  K. S. Seshadri,et al.  The shapes and intensities of infrared absorption bands—A review , 1963 .

[17]  R. Ditchfield.  On molecular orbital theories of NMR chemical shifts , 1972 .

[18]  A. Savitzky,et al.  Smoothing and Differentiation of Data by Simplified Least Squares Procedures. , 1964 .

[19]  H. F. Shurvell,et al.  Factor analysis as a complement to band resolution techniques. I. The method and its application to self-association of acetic acid , 1973 .

[20]  J. Shapiro,et al.  THE REDUCTION OF URETHANS WITH LITHIUM ALUMINUM HYDRIDE , 1955 .

[21]  F. Gurd,et al.  Carbon 13 nuclear magnetic resonance of peptides in the amino-terminal sequence of sperm whale myoglobin. , 1971, The Journal of biological chemistry.

[22]  J. Pitha,et al.  A COMPARISON OF OPTIMIZATION METHODS FOR FITTING CURVES TO INFRARED BAND ENVELOPES , 1966 .

[23]  R. Young,et al.  Shapes of infrared absorption bands of liquids , 1971 .

[24]  I. Morishima,et al.  Conformational dependence of the inductive effect in the .sigma.-electron system as studied by carbon-13 nuclear magnetic resonance , 1973 .

[25]  L. P. Lindeman,et al.  Carbon-13 nuclear magnetic resonance spectrometry. Chemical shifts for the paraffins through C9 , 1971 .

[26]  J. Perram.  Interpretation of Spectra , 1968 .

[27]  C. Djerassi,et al.  Carbon-13 nuclear magnetic resonance spectra of acyclic aliphatic amines , 1973 .

[28]  D. Grant,et al.  Carbon-13 Magnetic Resonance. II. Chemical Shift Data for the Alkanes , 1964 .

[29]  G. Maciel,et al.  Electronegative atoms in the INDO [intermediate neglect of differential overlap] perturbation theory of carbon-13 chemical shifts , 1973 .

[30]  A. Westerberg.  Detection and resolution of overlapped peaks for an on-line computer system for gas chromatographs , 1969 .

[31]  J. Pitha,et al.  An evaluation of mathematical functions to fit infrared band envelopes , 1967 .

[32]  W. Zenker.  Infrared study of methylene group absorptivities in polar straight chain aliphatic compounds , 1972 .

[33]  P. Jurs.  Weighted least squares curve fitting using functional transformations , 1970 .

[34]  R. B. Roden,et al.  Computer-Aided Visual Spectrum Analysis , 1972 .

[35]  R. Jones,et al.  FURTHER OBSERVATIONS ON THE USE OF INDENE FOR THE WAVENUMBER CALIBRATION OF INFRARED SPECTROMETERS , 1964 .

[36]  T. Gibb,et al.  Computer analysis of unresolved nonGaussian gas chromatograms by curve-fitting , 1970 .

[37]  C. N. Reilley,et al.  Nuclear Magnetic Resonance Studies of Protonation of Some Polyaminocarboxylate Compounds Containing Asymmetric Carbon Atoms. , 1964 .

[38]  John R. Morrey,et al.  On determining spectral peak positions from composite spectra with a digital computer , 1968 .

[39]  John D. Roberts,et al.  Nuclear Magnetic Resonance Spectroscopy. ^(13)C Spectra of Aliphatic Carboxylic Acids and Carboxylate Anions , 1969 .

[40]  L. H. Lane,et al.  Monomer sequence distribution in ethylene-propylene copolymers by computer analysis of infrared spectra , 1968 .

[41]  Paul D. Ellis,et al.  Carbon-13 nuclear magnetic resonance chemical shifts of the fluoroallenes. Comparison between theory and experiment , 1974 .

[42]  W. Horsley,et al.  Carbon-13 magnetic resonance studies of amino acids and peptides. , 1968, Journal of the American Chemical Society.

[43]  J. Feeney,et al.  The assignment of carbon-13 resonances from carbonyl groups in peptides , 1974 .

[44]  C. N. Reilley,et al.  Nuclear Magnetic Resonance Studies of Protonation of Polyamine and Aminocarboxylate Compounds in Aqueous Solution. , 1964 .

[45]  T. Gibb,et al.  Quantitative analysis of non-gaussian peaks by computer curve-fitting , 1969 .

[46]  R. Ditchfield,et al.  Molecular Orbital Theory of Magnetic Shielding and Magnetic Susceptibility , 1972 .

[47]  R. Jones,et al.  Errata - The Shapes of Infrared Absorption Bands of Liquids , 1971 .