IR intensity: Lorentz epsilon curve from 'Gaussian' FREQ output

Jens Spanget-Larsen

doi:10.13140/RG.2.1.4181.6160

IR intensity: Lorentz epsilon curve from 'Gaussian' FREQ output

Jens Spanget-Larsen

Kemi

Publikation: Andet › Udgivelser på nettet - Net-publikation › Formidling

Abstract

Definitions, formulas, and code for producing epsilon values (molar absorption coefficients) and IR spectral curve from 'Gaussian' FREQ output.

Originalsprog	Engelsk
Publikationsdato	9 jun. 2015
DOI	https://doi.org/10.13140/RG.2.1.4181.6160
Status	Udgivet - 9 jun. 2015

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10.13140/RG.2.1.4181.6160

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Citationsformater

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title = "IR intensity: Lorentz epsilon curve from 'Gaussian' FREQ output",

abstract = "Definitions, formulas, and code for producing epsilon values (molar absorption coefficients) and IR spectral curve from 'Gaussian' FREQ output. ",

keywords = "IR intensity, km/mol, epsilon, molar absorption coefficient",

author = "Jens Spanget-Larsen",

year = "2015",

month = jun,

day = "9",

doi = "10.13140/RG.2.1.4181.6160",

language = "English",

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TY - ICOMM

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T2 - Lorentz epsilon curve from 'Gaussian' FREQ output

AU - Spanget-Larsen, Jens

PY - 2015/6/9

Y1 - 2015/6/9

N2 - Definitions, formulas, and code for producing epsilon values (molar absorption coefficients) and IR spectral curve from 'Gaussian' FREQ output.

AB - Definitions, formulas, and code for producing epsilon values (molar absorption coefficients) and IR spectral curve from 'Gaussian' FREQ output.

KW - IR intensity

KW - km/mol

KW - epsilon

KW - molar absorption coefficient

U2 - 10.13140/RG.2.1.4181.6160

DO - 10.13140/RG.2.1.4181.6160

M3 - Net publication - Internet publication

ER -