IR spectra of ISTP in KBr pellets and as a film on single-crystalline KBr plates (in the region 400–4000 cm 1 ) and as a powder between polyethylene plates (100–400 cm 1 ) were measured. An interpretation of the obtained IR spectra was proposed. Specific features of normal modes of ...
For interpretation of infrared (IR) spectra by means of a neural network, a back propagation model with one hidden layer and a sigmoid transfer function has been proved to be the best of several network types. The full curves of less resolved IR spectra (128 measured data points) were used...
IR and Raman spectra (solids and liquidsindium, InChemInform is a weekly Abstracting Service, delivering concise information at a glance that was extracted from about 100 leading journals. To access a ChemInform Abstract of an article which was published elsewhere, please select a "Full Text" ...
IRspectrumcanbeusedasforidentificationbythecomparisonof‘‘unknown’’spectrumwithreferencespectra IRspectrumcanleadtocharacterization,andpossiblyevenidentificationofanunknownsamples TheIRinformationcanindicate: Linearorbranchedbackbone Ifchainsare(un)saturated
IR spectra interpretation ‐ key for interpretation of IR spectrainterpretation of IR spectrum ‐ and related structural informationunknown compound ‐ tentatively identifiedSadtler IR spectra, used for comparison ‐ measured spectrum with standard spectrum...
Identification of fragments of organic compounds by the IR spectra of the latter using complete sets of fragments and an IR database of more than 11,000 complete spectra and structures of organic compounds is treated. Probability and reliability of identification are estimated, and types of revealed...
Computer-assisted interpretation of infrared spectraPractical/ artificial intelligencepattern recognitionspectrochemical analysisspectroscopy computing/ artificial programming techniquesstructural elucidationtraining setpattern recognitionerrorcorrectioncomputer assisted IR spectra interpretation/ A8280D Electromagnetic radiation ...
Selecting Two-Dimensional Cross-Correlation Functions to Enhance Interpretation of Near-Infrared Spectra of Proteins Two-dimensional infrared (2D-IR) cross-correlation can facilitate the interpretation of infrared spectra. However, the fluctuation of noise and the overlap... R Buchet,Y Wu,G Lachenal,...
To analyze spectra, the accurate position and intensity of each absorption maximum must be known. This facilitates the comparison of the experimental data and comparison with theoretical calculated values. Because of the merging of some peaks as a result of overlapping of individual absorption bands,...
[ACS Symposium Series] Artificial Intelligence Applications in Chemistry Volume 306 || Elucidation of Structural Fragments by Computer-Assisted Interpretation of IR Spectra 来自 onAcademic 喜欢 0 阅读量: 13 作者:TH Pierce,BA Hohne DOI: 10.1021/bk-1986-0306.ch024 ...