Results 141 to 150 of about 17,102 (215)

Unraveling the Conformational and Electronic Landscape of 3‑Pyridinecarboxaldehyde: A Spectroscopic Journey through Conformer-Specific Ionization. [PDF]

ACS Phys Chem Au
Park SM, Kim H, Kwon CH.
europepmc   +1 more source

Inhomogeneous broadening in the time domain: Gauss-Lorentz, Gauss-Drude and Gauss-Debye material models. [PDF]

Nanophotonics
Prokopeva LJ, Kildishev AV.
europepmc   +1 more source

Tracking anharmonic oscillations in the structure of β-1,3-diacetylpyrene. [PDF]

IUCrJ
Zwolenik A, Makal A.
europepmc   +1 more source

High Resolution Leak-Out Spectroscopy of the ν₂ Symmetric CH₃ Stretching Mode of Protonated Acetonitrile, CH₃CNH^. [PDF]

J Phys Chem A
Salomon T, Silva WGDP, Thorwirth S, Asvany O, Schlemmer S.   +4 more
europepmc   +1 more source

High-Frequency Tails in Spectral Densities. [PDF]

J Phys Chem A
Korol R, Chen X, Franco I.
europepmc   +1 more source

Benchmarking Vibrational Spectra: 5000 Accurate Eigenstates of Acetonitrile Using Tree Tensor Network States. [PDF]

J Phys Chem Lett
Larsson HR.
europepmc   +1 more source

Vibrational Entanglement through the Lens of Quantum Information Measures. [PDF]

J Phys Chem Lett
Glaser N, Baiardi A, Lieberherr AZ, Reiher M.   +3 more
europepmc   +1 more source

Elucidating the reaction kernel and probing the effect of anharmonicity in the ring-closing reaction of fulgide single crystals. [PDF]

Chem Sci
Mitra S, Zhang M, Bittmann SF, Cai J, Dong X, Murphy RS, Li Z, Miller RJD.   +7 more
europepmc   +1 more source

Characterizing Infrared Spectra of OH^-·(H₂O)₂ and OH^-·(H₂O)₃ with Constrained Nuclear-Electronic Orbital Molecular Dynamics. [PDF]

J Phys Chem A
Liu Z, Wang Y, Zhang Y, Yang N, Yang Y.
europepmc   +1 more source

Leveraging active learning-enhanced machine-learned interatomic potential for efficient infrared spectra prediction. [PDF]

NPJ Comput Mater
Bhatia N, Rinke P, Krejčí O.
europepmc   +1 more source