419 related articles for article (PubMed ID: 18715075)
1. H2, HD, and D2 inside C60: coupled translation-rotation eigenstates of the endohedral molecules from quantum five-dimensional calculations.
Xu M; Sebastianelli F; Bacić Z; Lawler R; Turro NJ
J Chem Phys; 2008 Aug; 129(6):064313. PubMed ID: 18715075
[TBL] [Abstract][Full Text] [Related]
2. Quantum dynamics of H2, D2, and HD in the small dodecahedral cage of clathrate hydrate: evaluating H2-water nanocage interaction potentials by comparison of theory with inelastic neutron scattering experiments.
Xu M; Sebastianelli F; Bacić Z
J Chem Phys; 2008 Jun; 128(24):244715. PubMed ID: 18601373
[TBL] [Abstract][Full Text] [Related]
3. Coupled translation-rotation eigenstates of H2, HD, and D2 in the large cage of structure II clathrate hydrate: comparison with the small cage and rotational Raman spectroscopy.
Xu M; Sebastianelli F; Bacić Z
J Phys Chem A; 2009 Jul; 113(26):7601-9. PubMed ID: 19552479
[TBL] [Abstract][Full Text] [Related]
4. Hydrogen molecule in the small dodecahedral cage of a clathrate hydrate: quantum five-dimensional calculations of the coupled translation-rotation eigenstates.
Xu M; Elmatad YS; Sebastianelli F; Moskowitz JW; Bacić Z
J Phys Chem B; 2006 Dec; 110(49):24806-11. PubMed ID: 17149897
[TBL] [Abstract][Full Text] [Related]
5. Coupled translation-rotation eigenstates of H(2) in C(60) and C(70) on the spectroscopically optimized interaction potential: Effects of cage anisotropy on the energy level structure and assignments.
Xu M; Sebastianelli F; Gibbons BR; Bacić Z; Lawler R; Turro NJ
J Chem Phys; 2009 Jun; 130(22):224306. PubMed ID: 19530767
[TBL] [Abstract][Full Text] [Related]
6. Hydrogen molecule in the small dodecahedral cage of a clathrate hydrate: quantum translation-rotation dynamics at higher excitation energies.
Xu M; Sebastianelli F; Bacić Z
J Phys Chem A; 2007 Dec; 111(49):12763-71. PubMed ID: 17973467
[TBL] [Abstract][Full Text] [Related]
7. 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; Bacić Z
J Phys Chem A; 2007 Jul; 111(28):6115-21. PubMed ID: 17583332
[TBL] [Abstract][Full Text] [Related]
8. 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]
9. 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]
10. Methane molecule confined in the small and large cages of structure I clathrate hydrate: Quantum six-dimensional calculations of the coupled translation-rotation eigenstates.
Matanović I; Xu M; Moskowitz JW; Eckert J; Bacić Z
J Chem Phys; 2009 Dec; 131(22):224308. PubMed ID: 20001037
[TBL] [Abstract][Full Text] [Related]
11. Hydrogen adsorbed in a metal organic framework-5: coupled translation-rotation eigenstates from quantum five-dimensional calculations.
Matanović I; Belof JL; Space B; Sillar K; Sauer J; Eckert J; Bačić Z
J Chem Phys; 2012 Jul; 137(1):014701. PubMed ID: 22779674
[TBL] [Abstract][Full Text] [Related]
12. 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]
13. Hydrogen molecules inside fullerene C70: quantum dynamics, energetics, maximum occupancy, and comparison with C60.
Sebastianelli F; Xu M; Bacić Z; Lawler R; Turro NJ
J Am Chem Soc; 2010 Jul; 132(28):9826-32. PubMed ID: 20583809
[TBL] [Abstract][Full Text] [Related]
14. Effects of the rotational excitation of D2 and of the potential energy surface on the H+ + D2 --> HD + D+ reaction.
González-Lezana T; Honvault P; Jambrina PG; Aoiz FJ; Launay JM
J Chem Phys; 2009 Jul; 131(4):044315. PubMed ID: 19655875
[TBL] [Abstract][Full Text] [Related]
15. 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]
16. Infrared spectroscopy of endohedral HD and D2 in C60.
Ge M; Nagel U; Hüvonen D; Rõõm T; Mamone S; Levitt MH; Carravetta M; Murata Y; Komatsu K; Lei X; Turro NJ
J Chem Phys; 2011 Sep; 135(11):114511. PubMed ID: 21950875
[TBL] [Abstract][Full Text] [Related]
17. A time-dependent wave packet quantum scattering study of the reaction HD+ (v = 0 - 3;j0 = 1) + He --> HeH+(HeD+) + D(H).
Tang X; Houchins C; Lau KC; Ng CY; Dressler RA; Chiu YH; Chu TS; Han KL
J Chem Phys; 2007 Oct; 127(16):164318. PubMed ID: 17979349
[TBL] [Abstract][Full Text] [Related]
18. Influence of reagent rotation on (H-, D2) and (D-, H2) collisions: a quantum mechanical study.
Giri K; Sathyamurthy N
J Phys Chem A; 2006 Dec; 110(51):13843-9. PubMed ID: 17181342
[TBL] [Abstract][Full Text] [Related]
19. State-to-state reactive differential cross sections for the H+H2-->H2+H reaction on five different potential energy surfaces employing a new quantum wavepacket computer code: DIFFREALWAVE.
Hankel M; Smith SC; Allan RJ; Gray SK; Balint-Kurti GG
J Chem Phys; 2006 Oct; 125(16):164303. PubMed ID: 17092069
[TBL] [Abstract][Full Text] [Related]
20. State-to-state rotational transitions in H2+H2 collisions at low temperatures.
Lee TG; Balakrishnan N; Forrey RC; Stancil PC; Schultz DR; Ferland GJ
J Chem Phys; 2006 Sep; 125(11):114302. PubMed ID: 16999469
[TBL] [Abstract][Full Text] [Related]
[Next] [New Search]