화학공학소재연구정보센터
검색결과 : 41건
No. Article
1 HDO-CO Complex: D-Bonded and H-Bonded Isomers and Intra- and Intermolecular Rovibrational States from Full-Dimensional and Fully Coupled Quantum Calculations
Felker PM, Bacic Z
Journal of Physical Chemistry A, 125(4), 980, 2021
2 Rigorous quantum treatment of inelastic neutron scattering spectra of a heteronuclear diatomic molecule in a nanocavity: HD in the small cage of structure II clathrate hydrate
Xu MZ, Ulivi L, Celli M, Colognesi D, Bacic Z
Chemical Physics Letters, 563, 1, 2013
3 Quantum Dynamics of a Hydrogen Molecule Inside an Anisotropic Open-Cage Fullerene: Coupled Translation-Rotation Eigenstates and Comparison with Inelastic Neutron Scattering Spectroscopy
Ye SF, Xu MZ, Bacic Z, Lawler R, Turro NJ
Journal of Physical Chemistry A, 114(36), 9936, 2010
4 Hydrogen Molecules inside Fullerene C-70: Quantum Dynamics, Energetics, Maximum Occupancy, And Comparison with C-60
Sebastianelli F, Xu MZ, Bacic Z, Lawler R, Turro NJ
Journal of the American Chemical Society, 132(28), 9826, 2010
5 Quantum Dynamics of the Vibrations of Helium Bound to the Nanosurface of a Large Planar Organic Molecule: Phthalocyanine center dot He van der Waals Complex
Gibbons BR, Xu MZ, Bacic Z
Journal of Physical Chemistry A, 113(16), 3789, 2009
6 Coupled Translation-Rotation Eigenstates of H-2, HD, and D-2 in the Large Cage of Structure II Clathrate Hydrate: Comparison with the Small Cage and Rotational Raman Spectroscopy
Xu MZ, Sebastianelli F, Bacic Z
Journal of Physical Chemistry A, 113(26), 7601, 2009
7 Hydrogen molecule in the small dodecahedral cage of a clathrate hydrate: Quantum translation-rotation dynamics at higher excitation energies
Xu MZ, Sebastianelli F, Bacic Z
Journal of Physical Chemistry A, 111(49), 12763, 2007
8 One and two hydrogen molecules in the large cage of the structure II clathrate hydrate: Quantum translation-rotation dynamics close to the cage wall
Sebastianelli F, Xu M, Kanan DK, Bacic Z
Journal of Physical Chemistry A, 111(28), 6115, 2007
9 Wave function delocalization and large-amplitude vibrations of helium on corrugated aromatic microsurfaces: Tetracene center dot He and Pentacene center dot He van der Waals complexes
Xu MZ, Bacic Z
Journal of Physical Chemistry A, 111(31), 7653, 2007
10 Tribute to John C. Light
Bacic Z, Gray SK
Journal of Physical Chemistry A, 110(16), 5225, 2006