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The Journal of Chemical Physics|February 10, 2025
Strong parity-violation effects induced by large-amplitude motions: A quantum-dynamics study of substituted chiral methanolsAyaki SunagaInorganic Chemistry|September 16, 2024
Structure and Excitation Spectra of Third-Row Transition Metal Hexafluorides Based on Multi-Reference Exact Two-Component TheoryAyaki SunagaThe Journal of Physical Chemistry. A|November 14, 2022
Linearity and Chemical Bond of UO<sub>2</sub><sup>2+</sup> Revisited: A Comparison Study with UN<sub>2</sub> and UE<sub>2</sub><sup>2+</sup> (E = S, Se, and Te) Based on Relativistic CalculationsAyaki Sunaga, Chihiro Tabata, Tomoo YamamuraThe Journal of Chemical Physics|November 1, 2022
4-component relativistic Hamiltonian with effective QED potentials for molecular calculationsAyaki Sunaga, Maen Salman, Trond SaueJournal of Chemical Theory and Computation|August 30, 2024
Variational Vibrational States of Methanol (12D)Ayaki Sunaga, Gustavo Avila, Edit MátyusJournal of Chemical Theory and Computation|December 14, 2022
Diffuse Basis Functions for Relativistic s and d Block Gaussian Basis SetsKenneth G Dyall, Paweł Tecmer, Ayaki SunagaPhysical Chemistry Chemical Physics : PCCP|May 7, 2026
Vibrational infrared and Raman spectra of the methanol molecule with equivariant neural-network property surfacesAyaki Sunaga, Albert P Bartók, Edit MátyusThe Journal of Chemical Physics|August 8, 2025
Exact quantum dynamics of methanol: Full-dimensional ab initio potential energy surface of spectroscopic quality and variational vibrational statesAyaki Sunaga, Tibor Győri, Gábor Czakó, et al.Physical Review Letters|August 12, 2025
Hyperfine Rovibrational States of H_{3}^{+} in a Weak External Magnetic FieldGustavo Avila, Ayaki Sunaga, Stanislav Komorovsky, et al.Physical Review Letters|April 28, 2023
Observation of an Inner-Shell Orbital Clock Transition in Neutral Ytterbium AtomsTaiki Ishiyama, Koki Ono, Tetsushi Takano, et al.Pageof 2