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Multi-mode water dynamics in hydration shells of villin headpiece subdomain protein in the solid state using deuterium and oxygen-17 NMR spectroscopy
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Journal:
The Journal of Chemical Physics
J. Chem. Phys. 163, 025101 (2025)
Published: July 2025
Journal Articles
Journal Articles
Modulating vibrational energy redistribution in highly conjugated systems
Available to PurchaseMajid 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)
Published: April 2025
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Coarse-grained simulation of water: A comparative study and overview
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The Journal of Chemical Physics
J. Chem. Phys. 162, 144501 (2025)
Published: April 2025
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Excited-state-specific Kohn–Sham formalism for the asymmetric Hubbard dimer
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The Journal of Chemical Physics
J. Chem. Phys. 162, 144104 (2025)
Published: April 2025
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Inherent loss of parahydrogen-induced polarization for systems with magnetically equivalent nuclei in magnetic field cycling experiments
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Journal:
The Journal of Chemical Physics
J. Chem. Phys. 162, 104112 (2025)
Published: March 2025
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On the performance of QTP functionals applied to second-order response properties
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The Journal of Chemical Physics
J. Chem. Phys. 162, 054105 (2025)
Published: February 2025
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Multiple-quantum magic-angle spinning NMR spectra in the static limit: The I = 3/2 case
Available to PurchaseLexi McCarthy-Carney, Brendan Wilson, Deepansh Srivastava, Jay H. Baltisberger, Philip J. Grandinetti
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The Journal of Chemical Physics
J. Chem. Phys. 161, 244201 (2024)
Published: December 2024
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Faraday rotation method improves the upper limit of the electron electric – dipole – moment sensitivity
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The Journal of Chemical Physics
J. Chem. Phys. 161, 164310 (2024)
Published: October 2024
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Two stage decoherence of optical phonons in long oligomers
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The Journal of Chemical Physics
J. Chem. Phys. 161, 094901 (2024)
Published: September 2024
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First-principles study on pressure-induced superconductivity and structural design on transition metal diborides
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Journal:
The Journal of Chemical Physics
J. Chem. Phys. 161, 084712 (2024)
Published: August 2024
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Modeling ultrafast anharmonic vibrational coupling in gas-phase fluorobenzene molecules
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The Journal of Chemical Physics
J. Chem. Phys. 161, 064309 (2024)
Published: August 2024
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Anharmonic and quantum effects in Pm 3 ̄ AlM(M = Hf, Zr)H6 under high pressure: A first-principles study
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The Journal of Chemical Physics
J. Chem. Phys. 161, 024504 (2024)
Published: July 2024
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Strong electron–phonon coupling and multigap superconductivity in 2H/1T Janus MoSLi monolayer
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The Journal of Chemical Physics
J. Chem. Phys. 160, 234707 (2024)
Published: June 2024
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Fourier transform microwave spectroscopy of the 13C- and 18O-substituted tropolone. Proton tunneling effect for the isotopic species with the asymmetric potential wells
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Journal:
The Journal of Chemical Physics
J. Chem. Phys. 160, 214311 (2024)
Published: June 2024
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Millimeter-wave and high-resolution infrared spectroscopy of the low-lying vibrational states of pyridazine isotopologues
Available to PurchaseBrian J. Esselman, Maria A. Zdanovskaia, Brent K. Amberger, Joshua D. Shutter, Andrew N. Owen, Brant E. Billinghurst, Jianbao Zhao, Zbigniew Kisiel, R. Claude Woods, Robert J. McMahon
Journal:
The Journal of Chemical Physics
J. Chem. Phys. 160, 194301 (2024)
Published: May 2024
Includes: Supplementary data
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Electronic structure and optical spectral analysis of the MnO42− anion with consideration of site and Jahn–Teller distortion
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Journal:
The Journal of Chemical Physics
J. Chem. Phys. 160, 174314 (2024)
Published: May 2024
Includes: Supplementary data
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Analyzing the photoassociation spectrum of ultracold 85 Rb 133 Cs molecule in (3)3Σ+ state
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Journal:
The Journal of Chemical Physics
J. Chem. Phys. 160, 114313 (2024)
Published: March 2024
Includes: Supplementary data
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Theoretical and experimental OD-stretch vibrational spectroscopy of heavy water
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The Journal of Chemical Physics
J. Chem. Phys. 160, 104504 (2024)
Published: March 2024
Includes: Supplementary data
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Diagrammatic theory of magnetic and quadrupolar contributions to sum-frequency generation in composite systems
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Journal:
The Journal of Chemical Physics
J. Chem. Phys. 160, 024704 (2024)
Published: January 2024
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