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Journal Articles

Manipulating coherent vibrational relaxation in ethylene carbonate with isotope substitution

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Luke Guerrieri, Sarah Hall, Carsten Mueller, Brad M. Luther, Amber T. Krummel
Journal: The Journal of Chemical Physics
J. Chem. Phys. 162, 224501 (2025)
https://doi.org/10.1063/5.0263809
Published: June 2025
View articletitled, Manipulating coherent vibrational relaxation in ethylene carbonate with isotope substitution
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Journal Articles

Conformational equilibrium of aminoethanol in the gas phase and in solution driven by intra- and intermolecular interactions and solvent polarity

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Ao You, Yuhui Li, Xinlang Yang, Hongyuan Shen, Yuanqin Yu, Xiaoguo Zhou, Rui Zhang, Shilin Liu
Journal: The Journal of Chemical Physics
J. Chem. Phys. 162, 164309 (2025)
https://doi.org/10.1063/5.0259801
Published: April 2025
View articletitled, Conformational equilibrium of aminoethanol in the gas phase and in solution driven by intra- and intermolecular interactions and solvent polarity
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Journal Articles

Vibrational second-order perturbation theory based on curvilinear coordinates: Thermochemical applications

Open Access
M. Mendolicchio, V. Barone
Journal: The Journal of Chemical Physics
J. Chem. Phys. 162, 154114 (2025)
https://doi.org/10.1063/5.0252006
Published: April 2025
View articletitled, Vibrational second-order perturbation theory based on curvilinear coordinates: Thermochemical applications
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Journal Articles

Structure and vibrational spectroscopy of complexes of Al+ and Al2+ with ethane

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Muhammad Affawn Ashraf, Ricardo B. Metz
Journal: The Journal of Chemical Physics
J. Chem. Phys. 162, 154302 (2025)
https://doi.org/10.1063/5.0266163
Published: April 2025
View articletitled, Structure and vibrational spectroscopy of complexes of Al+ and Al2+ with ethane
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Journal Articles

Modulating vibrational energy redistribution in highly conjugated systems

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Majid Hassani, Pathick Halder Shaon, Christopher J. Mallon, Tianjiao Shi, Judith N. Monzy, Edward E. Fenlon, David M. Leitner, Matthew J. Tucker
Journal: The Journal of Chemical Physics
J. Chem. Phys. 162, 154201 (2025)
https://doi.org/10.1063/5.0263013
Published: April 2025
View articletitled, Modulating vibrational energy redistribution in highly conjugated systems
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Journal Articles

pyVPT2: Interoperable software for anharmonic vibrational frequency calculations

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Philip M. Nelson, C. David Sherrill
Journal: The Journal of Chemical Physics
J. Chem. Phys. 162, 032501 (2025)
https://doi.org/10.1063/5.0251445
Published: January 2025
View articletitled, pyVPT2: Interoperable software for anharmonic vibrational frequency calculations
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Journal Articles

H2O trimer: Rigorous 12D quantum calculations of intermolecular vibrational states, tunneling splittings, and low-frequency spectrum

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Irén Simkó, Peter M. Felker, Zlatko Bačić
Journal: The Journal of Chemical Physics
J. Chem. Phys. 162, 034301 (2025)
https://doi.org/10.1063/5.0250018
Published: January 2025
View articletitled, H2O trimer: Rigorous 12D quantum calculations of intermolecular vibrational states, tunneling splittings, and low-frequency spectrum
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Journal Articles

On the NH stretch ν1 band of methyleneimine CH2NH

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A. Nejad
Journal: The Journal of Chemical Physics
J. Chem. Phys. 161, 204302 (2024)
https://doi.org/10.1063/5.0236630
Published: November 2024
View articletitled, On the NH stretch ν1 band of methyleneimine CH2NH
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Journal Articles

2D-IR spectroscopy of azide-labeled carbohydrates in H2O

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P. Gasse, T. Stensitzki, H. M. Müller-Werkmeister
Journal: The Journal of Chemical Physics
J. Chem. Phys. 161, 195101 (2024)
https://doi.org/10.1063/5.0225308
Published: November 2024
View articletitled, 2D-IR spectroscopy of azide-labeled carbohydrates in H2O
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Journal Articles

Signatures of coherent vibrational dynamics in ethylene carbonate

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Luke Guerrieri, Sarah Hall, Brad M. Luther, Amber T. Krummel
Journal: The Journal of Chemical Physics
J. Chem. Phys. 161, 164504 (2024)
https://doi.org/10.1063/5.0216515
Published: October 2024
View articletitled, Signatures of coherent vibrational dynamics in ethylene carbonate
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Journal Articles

Twin peaks: Matrix isolation studies of H2S·amine complexes shedding light on fundamental S–H⋯N bonding

Open Access
Matthew H. V. Graneri, Dino Spagnoli, Duncan A. Wild, Allan J. McKinley
Journal: The Journal of Chemical Physics
J. Chem. Phys. 160, 124312 (2024)
https://doi.org/10.1063/5.0191308
Published: March 2024
View articletitled, Twin peaks: Matrix isolation studies of H2S·amine complexes shedding light on fundamental S–H⋯N bonding
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Includes: Supplementary data
Journal Articles

Theoretical and experimental OD-stretch vibrational spectroscopy of heavy water

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Tetsuyuki Takayama, Takuhiro Otosu, Shoichi Yamaguchi
Journal: The Journal of Chemical Physics
J. Chem. Phys. 160, 104504 (2024)
https://doi.org/10.1063/5.0200623
Published: March 2024
View articletitled, Theoretical and experimental OD-stretch vibrational spectroscopy of heavy water
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Includes: Supplementary data
Journal Articles

Response to “Comment on ‘Sum-frequency vibrational spectroscopy of centrosymmetric molecule at interfaces’” [J. Chem. Phys. 160, 107101 (2024)]

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Ren-Hui Zheng, Wen-Mei Wei, Shuo-Cang Zhang
Journal: The Journal of Chemical Physics
J. Chem. Phys. 160, 107102 (2024)
https://doi.org/10.1063/5.0177277
Published: March 2024
View articletitled, Response to “Comment on ‘Sum-frequency vibrational spectroscopy of centrosymmetric molecule at interfaces’” [J. Chem. Phys. 160, 107101 (2024)]
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Journal Articles

Comment on “Sum-frequency vibrational spectroscopy of centrosymmetric molecule at interfaces” [J. Chem. Phys. 158, 074701 (2023)]

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Tomonori Hirano, Koichi Kumagai, Tatsuya Ishiyama, Akihiro Morita
Journal: The Journal of Chemical Physics
J. Chem. Phys. 160, 107101 (2024)
https://doi.org/10.1063/5.0167357
Published: March 2024
View articletitled, Comment on “Sum-frequency vibrational spectroscopy of centrosymmetric molecule at interfaces” [J. Chem. Phys. 158, 074701 (2023)]
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Includes: Supplementary data
Journal Articles

Anisotropic dynamics of an interfacial enzyme active site observed using tethered substrate analogs and ultrafast 2D IR spectroscopy

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Tayler D. Hill, Sunil Basnet, Hannah H. Lepird, Blaze W. Rightnowar, Sean D. Moran
Journal: The Journal of Chemical Physics
J. Chem. Phys. 159, 165101 (2023)
https://doi.org/10.1063/5.0167991
Published: October 2023
View articletitled, Anisotropic dynamics of an interfacial enzyme active site observed using tethered substrate analogs and ultrafast 2D IR spectroscopy
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Includes: Supplementary data
Journal Articles

Ab initio anharmonic analysis of complex vibrational spectra of phenylacetylene and fluorophenylacetylenes in the acetylenic and aromatic C–H stretching region

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Sumitra Singh, Qian-Rui Huang, Jake A. Tan, Jer-Lai Kuo, G. Naresh Patwari
Journal: The Journal of Chemical Physics
J. Chem. Phys. 159, 104302 (2023)
https://doi.org/10.1063/5.0160700
Published: September 2023
View articletitled, Ab initio anharmonic analysis of complex vibrational spectra of phenylacetylene and fluorophenylacetylenes in the acetylenic and aromatic C–H stretching region
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Includes: Supplementary data
Journal Articles

FTIR matrix isolation study of CDF3 in the region of CD stretching vibration: The spectroscopic manifestation of the Fermi resonance effects

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R. E. Asfin, S. M. Melikova, A. V. Domanskaya, K. S. Rutkowski, D. N. Shchepkin
Journal: The Journal of Chemical Physics
J. Chem. Phys. 159, 044304 (2023)
https://doi.org/10.1063/5.0158729
Published: July 2023
View articletitled, FTIR matrix isolation study of CDF3 in the region of CD stretching vibration: The spectroscopic manifestation of the Fermi resonance effects
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Includes: Supplementary data
Journal Articles

Inhibition of vibrational energy flow within an aromatic scaffold via heavy atom effect

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Majid Hassani, Christopher J. Mallon, Judith N. Monzy, Andrew J. Schmitz, Scott H. Brewer, Edward E. Fenlon, Matthew J. Tucker
Journal: The Journal of Chemical Physics
J. Chem. Phys. 158, 224201 (2023)
https://doi.org/10.1063/5.0153760
Published: June 2023
View articletitled, Inhibition of vibrational energy flow within an aromatic scaffold via heavy atom effect
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Includes: Supplementary data
Journal Articles

Sum-frequency vibrational spectroscopy of centrosymmetric molecule at interfaces

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Ren-Hui Zheng, Wen-Mei Wei, Shuo-Cang Zhang
Journal: The Journal of Chemical Physics
J. Chem. Phys. 158, 074701 (2023)
https://doi.org/10.1063/5.0139895
Published: February 2023
View articletitled, Sum-frequency vibrational spectroscopy of centrosymmetric molecule at interfaces
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Includes: Supplementary data
Journal Articles

Comparative study of the H and D abstraction in the H + CH3D reaction with a ten-dimensional quantum dynamics model

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Mingjuan Yang, Tong Cheng, Rui Zheng, Hongwei Song, Minghui Yang
Journal: The Journal of Chemical Physics
J. Chem. Phys. 157, 224302 (2022)
https://doi.org/10.1063/5.0130603
Published: December 2022
View articletitled, Comparative study of the H and D abstraction in the H + CH3D reaction with a ten-dimensional quantum dynamics model
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