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Journal Articles
Patterns in two-dimensional spectra can identify broken rovibrational selection rules
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Journal:
The Journal of Chemical Physics
J. Chem. Phys. 162, 194202 (2025)
Published: May 2025
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Double-quantum two-dimensional electronic–vibrational spectroscopy: Theory. Vibronic coherences in nonadiabatic phenomena
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Journal:
The Journal of Chemical Physics
J. Chem. Phys. 162, 174202 (2025)
Published: May 2025
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Vibrational second-order perturbation theory based on curvilinear coordinates: Thermochemical applications
Open Access
Journal:
The Journal of Chemical Physics
J. Chem. Phys. 162, 154114 (2025)
Published: April 2025
Journal Articles
Structure and vibrational spectroscopy of complexes of Al+ and Al2+ with ethane
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Journal:
The Journal of Chemical Physics
J. Chem. Phys. 162, 154302 (2025)
Published: April 2025
Journal Articles
Deepening bis-(thio)carbohydrazones conformational dynamics and hydrogen bond interactions in a non-protic solvent: DFT, molecular dynamics, NMR, and Raman investigations
Available to PurchaseFederica Santoro, Vincenzo Maria D’Amore, Alessio Zavaroni, Isidora Diakogiannaki, Dominga Rogolino, Mauro Carcelli, Alfonso Carotenuto, Luciana Marinelli, Francesco Saverio Di Leva, Diego Brancaccio, Greta Donati
Journal:
The Journal of Chemical Physics
J. Chem. Phys. 162, 094306 (2025)
Published: March 2025
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Strong parity-violation effects induced by large-amplitude motions: A quantum-dynamics study of substituted chiral methanols
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The Journal of Chemical Physics
J. Chem. Phys. 162, 064302 (2025)
Published: February 2025
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Journal Articles
The V30 benchmark set for anharmonic vibrational frequencies of molecular dimers
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Journal:
The Journal of Chemical Physics
J. Chem. Phys. 161, 234110 (2024)
Published: December 2024
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A new rigid non-polarizable model for semi-heavy water: TIP4P/2005-SHW
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Journal:
The Journal of Chemical Physics
J. Chem. Phys. 161, 234501 (2024)
Published: December 2024
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DFT-based calculation of vibrational sum frequency generation spectral features of crystalline β-sheets in silk: Polarization and azimuth angle dependences
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Journal:
The Journal of Chemical Physics
J. Chem. Phys. 161, 234901 (2024)
Published: December 2024
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Measuring complex SFG: Characterizing a phase reference
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The Journal of Chemical Physics
J. Chem. Phys. 161, 224204 (2024)
Published: December 2024
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Coherent IR-hyper-Raman four wave mixing spectroscopy
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The Journal of Chemical Physics
J. Chem. Phys. 161, 214201 (2024)
Published: December 2024
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Specific and high-affinity adsorption of volatile organic compounds on titanium dioxide surface
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The Journal of Chemical Physics
J. Chem. Phys. 161, 194704 (2024)
Published: November 2024
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Observing vibronic coupling in a strongly hydrogen bonded system with coherent multidimensional vibrational–electronic spectroscopy
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The Journal of Chemical Physics
J. Chem. Phys. 161, 174203 (2024)
Published: November 2024
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Signatures of coherent vibrational dynamics in ethylene carbonate
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Journal:
The Journal of Chemical Physics
J. Chem. Phys. 161, 164504 (2024)
Published: October 2024
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Self-aggregation and microhydration mechanisms of monoethanolamine: Far-infrared identification of large-amplitude hydrogen bond libration
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Journal:
The Journal of Chemical Physics
J. Chem. Phys. 161, 154301 (2024)
Published: October 2024
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Blueshift or redshift? Effect of hydrogen bonding interactions on the C≡N stretching frequency of 5-cyanoindole
Journal:
The Journal of Chemical Physics
J. Chem. Phys. 161, 124310 (2024)
Published: September 2024
Journal Articles
Revealing the molecular structures of α-Al2O3(0001)–water interface by machine learning based computational vibrational spectroscopy
Journal:
The Journal of Chemical Physics
J. Chem. Phys. 161, 124702 (2024)
Published: September 2024
Journal Articles
Beyond the “spine of hydration”: Chiral SFG spectroscopy detects DNA first hydration shell and base pair structures
Ethan A. Perets, Daniel Konstantinovsky, Ty Santiago, Pablo E. Videla, Matthew Tremblay, Luis Velarde, Victor S. Batista, Sharon Hammes-Schiffer, Elsa C. Y. Yan
Journal:
The Journal of Chemical Physics
J. Chem. Phys. 161, 095104 (2024)
Published: September 2024
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