390 related articles for article (PubMed ID: 16108637)
1. Ar(n)HF van der Waals clusters revisited: II. Energetics and HF vibrational frequency shifts from diffusion Monte Carlo calculations on additive and nonadditive potential-energy surfaces for n=1-12.
Jiang H; Xu M; Hutson JM; Bacić Z
J Chem Phys; 2005 Aug; 123(5):054305. PubMed ID: 16108637
[TBL] [Abstract][Full Text] [Related]
2. Ar n HF van der Waals clusters revisited. I. New low-energy isomeric structures for n=6-13.
Xu M; Jiang H; Bacić Z
J Chem Phys; 2004 Dec; 121(22):11045-52. PubMed ID: 15634055
[TBL] [Abstract][Full Text] [Related]
3. (HCl)2 and (HF)2 in small helium clusters: quantum solvation of hydrogen-bonded dimers.
Jiang H; Sarsa A; Murdachaew G; Szalewicz K; Bacić Z
J Chem Phys; 2005 Dec; 123(22):224313. PubMed ID: 16375482
[TBL] [Abstract][Full Text] [Related]
4. Structure and stability of Ne+He(n): experiment and diffusion quantum Monte Carlo theory with "on the fly" electronic structure.
Brindle CA; Prado MR; Janda KC; Halberstadt N; Lewerenz M
J Chem Phys; 2005 Aug; 123(6):64312. PubMed ID: 16122313
[TBL] [Abstract][Full Text] [Related]
5. Exploring the new three-dimensional ab initio interaction energy surface of the Ar-HF complex: rovibrational calculations for Ar-HF and Ar-DF with vibrationally excited diatoms.
Jankowski P
J Chem Phys; 2008 Apr; 128(15):154311. PubMed ID: 18433213
[TBL] [Abstract][Full Text] [Related]
6. Accurate ab initio potential energy surface, dynamics, and thermochemistry of the F+CH4-->HF+CH3 reaction.
Czakó G; Shepler BC; Braams BJ; Bowman JM
J Chem Phys; 2009 Feb; 130(8):084301. PubMed ID: 19256605
[TBL] [Abstract][Full Text] [Related]
7. Full-dimensional quantum calculations of ground-state tunneling splitting of malonaldehyde using an accurate ab initio potential energy surface.
Wang Y; Braams BJ; Bowman JM; Carter S; Tew DP
J Chem Phys; 2008 Jun; 128(22):224314. PubMed ID: 18554020
[TBL] [Abstract][Full Text] [Related]
8. Experimental and theoretical studies of the CN-Ar van der Waals complex.
Han J; Heaven MC; Schnupf U; Alexander MH
J Chem Phys; 2008 Mar; 128(10):104308. PubMed ID: 18345889
[TBL] [Abstract][Full Text] [Related]
9. Ab initio calculations of stationary points on the benzene-Ar and p-difluorobenzene-Ar potential energy surfaces: barriers to bound orbiting states.
Moulds RJ; Buntine MA; Lawrance WD
J Chem Phys; 2004 Sep; 121(10):4635-41. PubMed ID: 15332894
[TBL] [Abstract][Full Text] [Related]
10. Quantum Monte Carlo calculations of the dissociation energy of the water dimer.
Benedek NA; Snook IK; Towler MD; Needs RJ
J Chem Phys; 2006 Sep; 125(10):104302. PubMed ID: 16999521
[TBL] [Abstract][Full Text] [Related]
11. A theoretical study of He2ICl van der Waals cluster.
Valdés A; Prosmiti R; Villarreal P; Delgado-Barrio G
J Chem Phys; 2006 Jul; 125(1):014313. PubMed ID: 16863304
[TBL] [Abstract][Full Text] [Related]
12. Dissociation energy of the water dimer from quantum Monte Carlo calculations.
Gurtubay IG; Needs RJ
J Chem Phys; 2007 Sep; 127(12):124306. PubMed ID: 17902902
[TBL] [Abstract][Full Text] [Related]
13. High-resolution infrared spectroscopy of Mg-HF and Mg-(HF)2 solvated in helium nanodroplets.
Stiles PL; Douberly GE; Miller RE
J Chem Phys; 2009 May; 130(18):184313. PubMed ID: 19449927
[TBL] [Abstract][Full Text] [Related]
14. Competition between van der Waals and hydrogen bonding interactions: structure of the trans-1-naphthol/N(2) cluster.
Xantheas SS; Roth W; Fischer I
J Phys Chem A; 2005 Oct; 109(42):9584-9. PubMed ID: 16866411
[TBL] [Abstract][Full Text] [Related]
15. Theoretical studies for structures and energetics of Rgn-N2O (Rg=He, Ne, Ar) clusters.
Zhu H; Xie D; Yan G
J Comput Chem; 2003 Nov; 24(15):1839-45. PubMed ID: 14515366
[TBL] [Abstract][Full Text] [Related]
16. Ab initio and analytic intermolecular potentials for Ar-CH(3)OH.
Tasić U; Alexeev Y; Vayner G; Crawford TD; Windus TL; Hase WL
Phys Chem Chem Phys; 2006 Oct; 8(40):4678-84. PubMed ID: 17047766
[TBL] [Abstract][Full Text] [Related]
17. Quantum dynamics of small H2 and D2 clusters in the large cage of structure II clathrate hydrate: energetics, occupancy, and vibrationally averaged cluster structures.
Sebastianelli F; Xu M; Bacić Z
J Chem Phys; 2008 Dec; 129(24):244706. PubMed ID: 19123525
[TBL] [Abstract][Full Text] [Related]
18. Method and basis set dependence of anharmonic ground state nuclear wave functions and zero-point energies: application to SSSH.
Kolmann SJ; Jordan MJ
J Chem Phys; 2010 Feb; 132(5):054105. PubMed ID: 20136303
[TBL] [Abstract][Full Text] [Related]
19. HF in clusters of molecular hydrogen. I. Size evolution of quantum solvation by parahydrogen molecules.
Jiang H; Bacić Z
J Chem Phys; 2005 Jun; 122(24):244306. PubMed ID: 16035756
[TBL] [Abstract][Full Text] [Related]
20. HF in clusters of molecular hydrogen: II. Quantum solvation by H2 isotopomers, cluster rigidity, and comparison with CO-doped parahydrogen clusters.
Sebastianelli F; Elmatad YS; Jiang H; Bacić Z
J Chem Phys; 2006 Oct; 125(16):164313. PubMed ID: 17092079
[TBL] [Abstract][Full Text] [Related]
[Next] [New Search]
