306 related articles for article (PubMed ID: 23947857)
1. Inelastic neutron scattering spectrum of H2@C60 and its temperature dependence decoded using rigorous quantum calculations and a new selection rule.
Xu M; Ye S; Powers A; Lawler R; Turro NJ; Bačić Z
J Chem Phys; 2013 Aug; 139(6):064309. PubMed ID: 23947857
[TBL] [Abstract][Full Text] [Related]
2. HD in C₆₀: theoretical prediction of the inelastic neutron scattering spectrum and its temperature dependence.
Xu M; Ye S; Lawler R; Turro NJ; Bačić Z
Philos Trans A Math Phys Eng Sci; 2013 Sep; 371(1998):20110630. PubMed ID: 23918712
[TBL] [Abstract][Full Text] [Related]
3. Confirming a predicted selection rule in inelastic neutron scattering spectroscopy: the quantum translator-rotator H2 entrapped inside C60.
Xu M; Jiménez-Ruiz M; Johnson MR; Rols S; Ye S; Carravetta M; Denning MS; Lei X; Bačić Z; Horsewill AJ
Phys Rev Lett; 2014 Sep; 113(12):123001. PubMed ID: 25279623
[TBL] [Abstract][Full Text] [Related]
4. H2 in solid C60: coupled translation-rotation eigenstates in the octahedral interstitial site from quantum five-dimensional calculations.
Ye S; Xu M; FitzGerald S; Tchernyshyov K; Bačić Z
J Chem Phys; 2013 Jun; 138(24):244707. PubMed ID: 23822264
[TBL] [Abstract][Full Text] [Related]
5. The Endofullerene HF@C
Xu M; Felker PM; Mamone S; Horsewill AJ; Rols S; Whitby RJ; Bačić Z
J Phys Chem Lett; 2019 Sep; 10(18):5365-5371. PubMed ID: 31454486
[TBL] [Abstract][Full Text] [Related]
6. Quantum rotation and translation of hydrogen molecules encapsulated inside C₆₀: temperature dependence of inelastic neutron scattering spectra.
Horsewill AJ; Goh K; Rols S; Ollivier J; Johnson MR; Levitt MH; Carravetta M; Mamone S; Murata Y; Chen JY; Johnson JA; Lei X; Turro NJ
Philos Trans A Math Phys Eng Sci; 2013 Sep; 371(1998):20110627. PubMed ID: 23918709
[TBL] [Abstract][Full Text] [Related]
7. H
Xu M; Felker PM; Bačić Z
J Chem Phys; 2022 Mar; 156(12):124101. PubMed ID: 35364860
[TBL] [Abstract][Full Text] [Related]
8. General Selection Rule in the Inelastic Neutron Scattering Spectroscopy of a Diatomic Molecule Confined Inside a Near-Spherical Nanocavity.
Xu M; Ye S; Bačić Z
J Phys Chem Lett; 2015 Sep; 6(18):3721-5. PubMed ID: 26722746
[TBL] [Abstract][Full Text] [Related]
9. Communication: The H2@C60 inelastic neutron scattering selection rule: Expanded and explained.
Poirier B
J Chem Phys; 2015 Sep; 143(10):101104. PubMed ID: 26373992
[TBL] [Abstract][Full Text] [Related]
10. Quantum dynamics of a hydrogen molecule inside an anisotropic open-cage fullerene: coupled translation-rotation eigenstates and comparison with inelastic neutron scattering spectroscopy.
Ye S; Xu M; Bacić Z; Lawler R; Turro NJ
J Phys Chem A; 2010 Sep; 114(36):9936-47. PubMed ID: 20825244
[TBL] [Abstract][Full Text] [Related]
11. Perspective: Accurate treatment of the quantum dynamics of light molecules inside fullerene cages: Translation-rotation states, spectroscopy, and symmetry breaking.
Bačić Z
J Chem Phys; 2018 Sep; 149(10):100901. PubMed ID: 30219006
[TBL] [Abstract][Full Text] [Related]
12. Experimental inelastic neutron scattering spectrum of hydrogen hexagonal clathrate-hydrate compared with rigorous quantum simulations.
Celli M; Powers A; Colognesi D; Xu M; Bačić Z; Ulivi L
J Chem Phys; 2013 Oct; 139(16):164507. PubMed ID: 24182049
[TBL] [Abstract][Full Text] [Related]
13. Quantum dynamics of coupled translational and rotational motions of H2 inside C60.
Xu M; Sebastianelli F; Bacić Z; Lawler R; Turro NJ
J Chem Phys; 2008 Jan; 128(1):011101. PubMed ID: 18190178
[TBL] [Abstract][Full Text] [Related]
14. Dynamics of H2 adsorbed in porous materials as revealed by computational analysis of inelastic neutron scattering spectra.
Pham T; Forrest KA; Space B; Eckert J
Phys Chem Chem Phys; 2016 Jun; 18(26):17141-58. PubMed ID: 27160665
[TBL] [Abstract][Full Text] [Related]
15. Neutron scattering measurements and computation of the quantum dynamics of hydrogen molecules trapped in the small and large cages of clathrate hydrates.
Colognesi D; Celli M; Ulivi L; Xu M; Bačić Z
J Phys Chem A; 2013 Aug; 117(32):7314-26. PubMed ID: 23514207
[TBL] [Abstract][Full Text] [Related]
16. Effects of symmetry breaking on the translation-rotation eigenstates of H
Bačić Z; Vlček V; Neuhauser D; Felker PM
Faraday Discuss; 2018 Dec; 212(0):547-567. PubMed ID: 30226507
[TBL] [Abstract][Full Text] [Related]
17. Interaction potential and infrared absorption of endohedral H2 in C60.
Ge M; Nagel U; Hüvonen D; Rõõm T; Mamone S; Levitt MH; Carravetta M; Murata Y; Komatsu K; Chen JY; Turro NJ
J Chem Phys; 2011 Feb; 134(5):054507. PubMed ID: 21303138
[TBL] [Abstract][Full Text] [Related]
18. Communication: Quantum six-dimensional calculations of the coupled translation-rotation eigenstates of H2O@C60.
Felker PM; Bačić Z
J Chem Phys; 2016 May; 144(20):201101. PubMed ID: 27250272
[TBL] [Abstract][Full Text] [Related]
19. Experimental, theoretical and computational investigation of the inelastic neutron scattering spectrum of a homonuclear diatomic molecule in a nearly spherical trap: H
Mamone S; Jiménez-Ruiz M; Johnson MR; Rols S; Horsewill AJ
Phys Chem Chem Phys; 2016 Oct; 18(42):29369-29380. PubMed ID: 27735010
[TBL] [Abstract][Full Text] [Related]
20. Impact of the Condensed-Phase Environment on the Translation-Rotation Eigenstates and Spectra of a Hydrogen Molecule in Clathrate Hydrates.
Powers A; Marsalek O; Xu M; Ulivi L; Colognesi D; Tuckerman ME; Bačić Z
J Phys Chem Lett; 2016 Jan; 7(2):308-13. PubMed ID: 26727217
[TBL] [Abstract][Full Text] [Related]
[Next] [New Search]