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Articles (1110)

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1-10 of 1110 results for Calculated spectra

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Select article: Quantum mechanically calculated NIR spectra of fatty acids

Retricted access

Research article

First published 2017-12

Quantum mechanically calculated NIR spectra of fatty acids

Justyna Grabska

NIR news

Select article: Quantum chemical calculation of NIR spectra of practical materials

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Research article

First published 2017-3

Quantum chemical calculation of NIR spectra of practical materials

Christian W Huck, Krzysztof B Beć, Justyna Grabska [...]

NIR news

Select article: A Dynamical Method for Calculating the near Infrared Spectra of Molecules and Macromolecules

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Research article

First published 2000-3

A Dynamical Method for Calculating the near Infrared Spectra of Molecules and Macromolecules

C.E. Wozny, D.W. Noid, B.G. Sumpter

Journal of Near Infrared Spectroscopy

Select article: Smoothing and Resolution Enhancement of Photoelectron Spectra with the Aid of a Programmable Desk Calculator

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Research article

First published 1976-3

Smoothing and Resolution Enhancement of Photoelectron Spectra with the Aid of a Programmable Desk Calculator

Jean-Jacques Pireaux

Applied Spectroscopy

Select article: Vibrational Spectra and Normal Coordinate Calculations of Chlorophosphazene Compounds. II. Octachlorocyclotetraphosphazene

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Research article

First published 1982-5

Vibrational Spectra and Normal Coordinate Calculations of Chlorophosphazene Compounds. II. Octachlorocyclotetraphosphazene

J. Zarian, P. C. Painter, M. M. Coleman

Applied Spectroscopy

Select article: Vibrational Spectra and Normal Coordinate Calculations of Chlorophosphazene Compounds. III. Polydichlorophosphazene

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Research article

First published 1982-5

Vibrational Spectra and Normal Coordinate Calculations of Chlorophosphazene Compounds. III. Polydichlorophosphazene

M. M. Coleman, J. Zarian, P. C. Painter

Applied Spectroscopy

Select article: Vibrational Spectra and Normal Coordinate Calculations of Chlorophosphazene Compounds. I. Hexachlorocyclotriphosphazene

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Research article

First published 1982-5

Vibrational Spectra and Normal Coordinate Calculations of Chlorophosphazene Compounds. I. Hexachlorocyclotriphosphazene

P. C. Painter, J. Zarian, M. M. Coleman

Applied Spectroscopy

Select article: Performance Comparison of Spectral Distance Calculation Methods

Open access

Research article

First published 2022-12

Performance Comparison of Spectral Distance Calculation Methods

Taiji Oyama, Satoko Suzuki, Yasuo Horiguchi [...]

Applied Spectroscopy

Select article: The Electronic Absorption Spectra of Some N -Substituted Pyrroles—Molecular Orbital Calculations

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Research article

First published 1982-5

The Electronic Absorption Spectra of Some N -Substituted Pyrroles—Molecular Orbital Calculations

R. Abu-Eittah, R. Hilal, M. S. El-Shall

Applied Spectroscopy

Select article: Ab Initio Calculations of Proline Vibrations with and without Water: Consequences on the Infrared Spectra of Proline-Rich Proteins

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Other

First published 2011-7

Ab Initio Calculations of Proline Vibrations with and without Water: Consequences on the Infrared Spectra of Proline-Rich Proteins

Amélie Banc, Bernard Desbat, Dominique Cavagnat

Applied Spectroscopy

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