Anharmonic modeling of the conformation-specific IR spectra of ethyl, n-propyl, and n-butylbenzene-Reference-Cited by-同舟云学术

Anharmonic modeling of the conformation-specific IR spectra of ethyl, n-propyl, and n-butylbenzene

Published:2016-06-14 Issue:22 Volume:144 Page:224310
ISSN:0021-9606
Container-title:The Journal of Chemical Physics
language:en
Short-container-title:The Journal of Chemical Physics

Author:

Tabor Daniel P.¹,Hewett Daniel M.²^ORCID,Bocklitz Sebastian²,Korn Joseph A.²^ORCID,Tomaine Anthony J.²,Ghosh Arun K.²,Zwier Timothy S.²^ORCID,Sibert Edwin L.¹^ORCID

Affiliation:

1. Department of Chemistry and Theoretical Chemistry Institute, University of Wisconsin-Madison, Madison, Wisconsin 53706, USA

2. Department of Chemistry, Purdue University, West Lafayette, Indiana 47907, USA

Funder

Directorate for Mathematical and Physical Sciences (MPS)

Deutsche Forschungsgemeinschaft (DFG)

Fulbright Commission

U.S. Department of Energy (DOE)

Publisher

AIP Publishing

Subject

Physical and Theoretical Chemistry,General Physics and Astronomy

Link

http://aip.scitation.org/doi/am-pdf/10.1063/1.4953181

Reference44 articles.

1. Detailed chemical kinetic models for the low-temperature combustion of hydrocarbons with application to gasoline and diesel fuel surrogates

2. A high pressure shock tube study of n-propylbenzene oxidation and its comparison with n-butylbenzene

3. An experimental and modeling study of shock tube and rapid compression machine ignition of n-butylbenzene/air mixtures

4. A high-pressure rapid compression machine study of n-propylbenzene ignition

5. High resolution electronic spectroscopy of three n-alkylbenzenes: ethyl-, propyl-, and butylbenzene

Cited by 37 articles. 订阅此论文施引文献订阅此论文施引文献，注册后可以免费订阅5篇论文的施引文献，订阅后可以查看论文全部施引文献

1. Correlations between the Structures and Spectra of Protonated Water Clusters;The Journal of Physical Chemistry A;2024-01-24

2. A general expression for vibrational Hamiltonians expressed in oblique coordinates;The Journal of Chemical Physics;2023-12-18

3. Ab initio anharmonic analysis of complex vibrational spectra of phenylacetylene and fluorophenylacetylenes in the acetylenic and aromatic C–H stretching region;The Journal of Chemical Physics;2023-09-08

4. When Phenyl and Cyclopropyl Rings Meet: Spectroscopic Shifts and Conformational Questions;The Journal of Physical Chemistry A;2023-08-31

5. Accelerating Anharmonic Spectroscopy Simulations via Local-Mode, Multilevel Methods;Journal of Chemical Theory and Computation;2023-08-09