Propargyl Radical:  Ab Initio Anharmonic Modes and the Polarized Infrared Absorption Spectra of Matrix-Isolated HCCCH2

Evan B. Jochnowitz; Xu Zhang; Mark R. Nimlos; Mychel E. Varner; John F. Stanton; G. Barney Ellison

doi:10.1021/jp040719j

Propargyl Radical: Ab Initio Anharmonic Modes and the Polarized Infrared Absorption Spectra of Matrix-Isolated HCCCH2

The Journal of Physical Chemistry A ◽

10.1021/jp040719j ◽

2005 ◽

Vol 109 (17) ◽

pp. 3812-3821 ◽

Cited By ~ 42

Author(s):

Evan B. Jochnowitz ◽

Xu Zhang ◽

Mark R. Nimlos ◽

Mychel E. Varner ◽

John F. Stanton ◽

...

Keyword(s):

Ab Initio ◽

Absorption Spectra ◽

Infrared Absorption ◽

Propargyl Radical ◽

Infrared Absorption Spectra

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Infrared absorption spectra of matrix-isolated cis, cis-HOONO and its ab initio CCSD(T) anharmonic vibrational bands

The Journal of Chemical Physics ◽

10.1063/1.2163343 ◽

2006 ◽

Vol 124 (8) ◽

pp. 084305 ◽

Cited By ~ 13

Author(s):

Xu Zhang ◽

Mark R. Nimlos ◽

G. Barney Ellison ◽

Mychel E. Varner ◽

John F. Stanton

Keyword(s):

Ab Initio ◽

Absorption Spectra ◽

Infrared Absorption ◽

Vibrational Bands ◽

Infrared Absorption Spectra

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Ab Initio Molecular Dynamics Simulation of Infrared Absorption Spectra of H3O+ and H5O+2 in Nonaqueous Solutions of Trifluoromethanesulfonic Acid Hydrates

Journal of Solution Chemistry ◽

10.1007/s10953-016-0503-9 ◽

2016 ◽

Vol 45 (11) ◽

pp. 1548-1559

Author(s):

Makoto Yamaguchi ◽

Akihiro Ohira

Keyword(s):

Molecular Dynamics ◽

Molecular Dynamics Simulation ◽

Ab Initio ◽

Absorption Spectra ◽

Infrared Absorption ◽

Trifluoromethanesulfonic Acid ◽

Dynamics Simulation ◽

Ab Initio Molecular Dynamics ◽

Nonaqueous Solutions ◽

Infrared Absorption Spectra

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Ab initio, CNDO/2 and matrix isolation studies of 2-hydroxypyrimidine infrared absorption spectra

Journal of Molecular Structure ◽

10.1016/0022-2860(90)80107-u ◽

1990 ◽

Vol 220 ◽

pp. 147-167 ◽

Cited By ~ 11

Author(s):

L. Lapinski ◽

R. Czerminski ◽

M.J. Nowak ◽

J. Fulara

Keyword(s):

Ab Initio ◽

Absorption Spectra ◽

Infrared Absorption ◽

Matrix Isolation ◽

Infrared Absorption Spectra

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Quantitative Infrared Absorption Spectra and Vibrational Assignments of Crotonaldehyde and Methyl Vinyl Ketone Using Gas-Phase Mid-Infrared, Far-Infrared, and Liquid Raman Spectra: s-cis vs s-trans Composition Confirmed via Temperature Studies and ab Initio Methods

The Journal of Physical Chemistry A ◽

10.1021/acs.jpca.6b10872 ◽

2017 ◽

Vol 121 (6) ◽

pp. 1195-1212 ◽

Cited By ~ 14

Author(s):

Rodica Lindenmaier ◽

Stephen D. Williams ◽

Robert L. Sams ◽

Timothy J. Johnson

Keyword(s):

Ab Initio ◽

Gas Phase ◽

Absorption Spectra ◽

Infrared Absorption ◽

Far Infrared ◽

Ab Initio Methods ◽

Mid Infrared ◽

Methyl Vinyl ◽

Vibrational Assignments ◽

Infrared Absorption Spectra

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Ab initio molecular dynamics simulation of infrared absorption spectra of crystalline sulfuric acid mono- and tetra-hydrates

Computational and Theoretical Chemistry ◽

10.1016/j.comptc.2016.05.009 ◽

2016 ◽

Vol 1089 ◽

pp. 54-58 ◽

Cited By ~ 3

Author(s):

Makoto Yamaguchi ◽

Akihiro Ohira

Keyword(s):

Molecular Dynamics ◽

Sulfuric Acid ◽

Molecular Dynamics Simulation ◽

Ab Initio ◽

Absorption Spectra ◽

Infrared Absorption ◽

Dynamics Simulation ◽

Ab Initio Molecular Dynamics ◽

Infrared Absorption Spectra

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Cell-less measurements of infrared absorption spectra of aqueous suspensions and solutions

Collection of Czechoslovak Chemical Communications ◽

10.1135/cccc19740376 ◽

1974 ◽

Vol 39 (2) ◽

pp. 376-379 ◽

Cited By ~ 1

Author(s):

L. Berák ◽

J. Moravec ◽

J. Münich

Keyword(s):

Absorption Spectra ◽

Infrared Absorption ◽

Aqueous Suspensions ◽

Infrared Absorption Spectra

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Infrared Absorption Spectra of Isotopic Ozone Isolated in Rare‐Gas Matrices

The Journal of Chemical Physics ◽

10.1063/1.1677228 ◽

1972 ◽

Vol 56 (2) ◽

pp. 759-762 ◽

Cited By ~ 34

Author(s):

Leo Brewer ◽

J. Ling‐Fai Wang

Keyword(s):

Absorption Spectra ◽

Infrared Absorption ◽

Rare Gas ◽

Infrared Absorption Spectra

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The Infrared Absorption Spectra of Cyclic Diketones. VIII

YAKUGAKU ZASSHI ◽

10.1248/yakushi1947.81.10_1525 ◽

1961 ◽

Vol 81 (10) ◽

pp. 1525-1528 ◽

Cited By ~ 2

Author(s):

Keishi Kotera

Keyword(s):

Absorption Spectra ◽

Infrared Absorption ◽

Infrared Absorption Spectra

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Infrared Absorption Spectra of Alkali Metal Nitrates and Nitrites above and below the Melting Point

The Journal of Chemical Physics ◽

10.1063/1.1731284 ◽

1960 ◽

Vol 33 (3) ◽

pp. 900-902 ◽

Cited By ~ 38

Author(s):

J. Greenberg ◽

Leander J. Hallgren

Keyword(s):

Melting Point ◽

Alkali Metal ◽

Absorption Spectra ◽

Infrared Absorption ◽

Metal Nitrates ◽

Infrared Absorption Spectra

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Effect of Solvent and Hydrogen Bond on the Infrared Absorption Spectra of Organic Compounds. II

YAKUGAKU ZASSHI ◽

10.1248/yakushi1947.77.5_504 ◽

1957 ◽

Vol 77 (5) ◽

pp. 504-506

Author(s):

Naofumi Oi

Keyword(s):

Hydrogen Bond ◽

Absorption Spectra ◽

Organic Compounds ◽

Infrared Absorption ◽

Effect Of Solvent ◽

Infrared Absorption Spectra

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