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File Type: Text

2,571 to 2,580 of 2,617 Results

Lifetime_Measurements.txt Nov 10, 2021 - Data used in: The stabilization potential of a standing molecule Plain Text - 19.8 KB - SHA-256: 2674131d86df6c254e69b779b5aeaebb3208bc9cda42f24e8cd3555fdcb966bc txt version of the file Lifetime_Measurements.xlsx
Corrigendum_SI_Vereecken_et_al_2017.txt Nov 5, 2021 - Corrigendum Supporting Information Vereecken et al. 2017 Plain Text - 477.2 KB - SHA-256: d43499272766bae7771c67b2b33194fe536ea6cfeaa91cdfa371851e0d137b26 Quantum chemical data on unsaturated Criegee intermediates
fbglogistic.m Sep 2, 2021 - Data and octave codes for: Derivation of an Improved Semi-empirical Expression for the Re-ionisation Background in Low Energy Ion Scattering Spectra text/x-objcsrc - 1.2 KB - SHA-256: ca97d41ed6ca187cef5451a1b0a67b4ae00ca8538dc2cd1ecb524031ecfe5aa5 octave function; re-ionisation background using logistic function
fgauss.m Sep 2, 2021 - Data and octave codes for: Derivation of an Improved Semi-empirical Expression for the Re-ionisation Background in Low Energy Ion Scattering Spectra text/x-objcsrc - 808 B - SHA-256: 82e9593485795182acdce57193b9ceb5ac3d11cdab6afeccfb284e0821395fdc octave function; Gaussian profile
fleis.m Sep 2, 2021 - Data and octave codes for: Derivation of an Improved Semi-empirical Expression for the Re-ionisation Background in Low Energy Ion Scattering Spectra text/x-objcsrc - 1.4 KB - SHA-256: 62f1d9517c20c5904e7942806b594732a7f688a7fefd8a8b369c4a25c91b95d7 octave function; parametrized LEIS spectrum, up to five Gaussians plus re-ionisation background(s) and sloped offset
LEISfit.m Sep 2, 2021 - Data and octave codes for: Derivation of an Improved Semi-empirical Expression for the Re-ionisation Background in Low Energy Ion Scattering Spectra text/x-objcsrc - 18.0 KB - SHA-256: 983106d59e7c9a730d3cf8cf677bcdbe7f84b8259b8dfd62835855162f6d9298 octave program; LEIS spectrum fit
readleis.m Sep 2, 2021 - Data and octave codes for: Derivation of an Improved Semi-empirical Expression for the Re-ionisation Background in Low Energy Ion Scattering Spectra text/x-objcsrc - 2.9 KB - SHA-256: a3a6e6eb233b3a8eb4073f55790411206a911fac6f69effd82f17cde1c175768 octave function; reading of LEIS datafile, ASCII, two columns: E (energy) and N (counts)
readvar.m Sep 2, 2021 - Data and octave codes for: Derivation of an Improved Semi-empirical Expression for the Re-ionisation Background in Low Energy Ion Scattering Spectra text/x-objcsrc - 1.2 KB - SHA-256: 53a3e5a1ec44d88461bff37e32dd250f54d45f3027166c4aa5bfe90454c1e0c5 octave function; interactive reading of a variable
sho_unitary.tex May 4, 2021 - Unitary Transform between Radial and Cartesian Representation of the Spherical Harmonic Oscillator Basis LaTeX - 9.0 KB - SHA-256: 85755e92b24ab920dded995617f9faf5dd30ab2b4e44aceb17d5e908e49ff43d Theory document source
JAMOC_xcaaba.log Apr 23, 2021 - Model output from CAABA/MECCA obtained during the development of JAMOC Plain Text - 98.2 KB - SHA-256: c8cbced56c2b04d826c7f1743c4a2e4cecd811a990e02ef153a590999e556109 CAABA/MECCA log-file from the simulation using the Jülich Aqueous-phase Mechanism of Organic Chemistry (JAMOC).

Lifetime_Measurements.txt

Nov 10, 2021 - Data used in: The stabilization potential of a standing molecule

Plain Text - 19.8 KB - SHA-256: 2674131d86df6c254e69b779b5aeaebb3208bc9cda42f24e8cd3555fdcb966bc

txt version of the file Lifetime_Measurements.xlsx

Corrigendum_SI_Vereecken_et_al_2017.txt

Nov 5, 2021 - Corrigendum Supporting Information Vereecken et al. 2017

Plain Text - 477.2 KB - SHA-256: d43499272766bae7771c67b2b33194fe536ea6cfeaa91cdfa371851e0d137b26

Quantum chemical data on unsaturated Criegee intermediates

fbglogistic.m

Sep 2, 2021 - Data and octave codes for: Derivation of an Improved Semi-empirical Expression for the Re-ionisation Background in Low Energy Ion Scattering Spectra

text/x-objcsrc - 1.2 KB - SHA-256: ca97d41ed6ca187cef5451a1b0a67b4ae00ca8538dc2cd1ecb524031ecfe5aa5

octave function; re-ionisation background using logistic function

fgauss.m

Sep 2, 2021 - Data and octave codes for: Derivation of an Improved Semi-empirical Expression for the Re-ionisation Background in Low Energy Ion Scattering Spectra

text/x-objcsrc - 808 B - SHA-256: 82e9593485795182acdce57193b9ceb5ac3d11cdab6afeccfb284e0821395fdc

octave function; Gaussian profile

fleis.m

Sep 2, 2021 - Data and octave codes for: Derivation of an Improved Semi-empirical Expression for the Re-ionisation Background in Low Energy Ion Scattering Spectra

text/x-objcsrc - 1.4 KB - SHA-256: 62f1d9517c20c5904e7942806b594732a7f688a7fefd8a8b369c4a25c91b95d7

octave function; parametrized LEIS spectrum, up to five Gaussians plus re-ionisation background(s) and sloped offset

LEISfit.m

Sep 2, 2021 - Data and octave codes for: Derivation of an Improved Semi-empirical Expression for the Re-ionisation Background in Low Energy Ion Scattering Spectra

text/x-objcsrc - 18.0 KB - SHA-256: 983106d59e7c9a730d3cf8cf677bcdbe7f84b8259b8dfd62835855162f6d9298

octave program; LEIS spectrum fit

readleis.m

Sep 2, 2021 - Data and octave codes for: Derivation of an Improved Semi-empirical Expression for the Re-ionisation Background in Low Energy Ion Scattering Spectra

text/x-objcsrc - 2.9 KB - SHA-256: a3a6e6eb233b3a8eb4073f55790411206a911fac6f69effd82f17cde1c175768

octave function; reading of LEIS datafile, ASCII, two columns: E (energy) and N (counts)

readvar.m

Sep 2, 2021 - Data and octave codes for: Derivation of an Improved Semi-empirical Expression for the Re-ionisation Background in Low Energy Ion Scattering Spectra

text/x-objcsrc - 1.2 KB - SHA-256: 53a3e5a1ec44d88461bff37e32dd250f54d45f3027166c4aa5bfe90454c1e0c5

octave function; interactive reading of a variable

sho_unitary.tex

May 4, 2021 - Unitary Transform between Radial and Cartesian Representation of the Spherical Harmonic Oscillator Basis

LaTeX - 9.0 KB - SHA-256: 85755e92b24ab920dded995617f9faf5dd30ab2b4e44aceb17d5e908e49ff43d

Theory document source

JAMOC_xcaaba.log

Apr 23, 2021 - Model output from CAABA/MECCA obtained during the development of JAMOC

Plain Text - 98.2 KB - SHA-256: c8cbced56c2b04d826c7f1743c4a2e4cecd811a990e02ef153a590999e556109

CAABA/MECCA log-file from the simulation using the Jülich Aqueous-phase Mechanism of Organic Chemistry (JAMOC).

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