147 related articles for article (PubMed ID: 18376953)
1. Stereographic projection path integral simulations of (HCl)n clusters (n=2-5): evidence of quantum induced melting in small hydrogen bonded networks.
Avilés MW; McCandless ML; Curotto E
J Chem Phys; 2008 Mar; 128(12):124517. PubMed ID: 18376953
[TBL] [Abstract][Full Text] [Related]
2. Stereographic projection path-integral simulations of (HF)n clusters.
Avilés MW; Gray PT; Curotto E
J Chem Phys; 2006 May; 124(17):174305. PubMed ID: 16689569
[TBL] [Abstract][Full Text] [Related]
3. Thermodynamic properties of ammonia clusters (NH3)n n = 2-11: comparing classical and quantum simulation results for hydrogen bonded species.
Lubombo C; Curotto E; Janeiro Barral PE; Mella M
J Chem Phys; 2009 Jul; 131(3):034312. PubMed ID: 19624202
[TBL] [Abstract][Full Text] [Related]
4. Rigid quantum Monte Carlo simulations of condensed molecular matter: water clusters in the n=2-->8 range.
Langley SF; Curotto E; Freeman DL; Doll JD
J Chem Phys; 2007 Feb; 126(8):084506. PubMed ID: 17343457
[TBL] [Abstract][Full Text] [Related]
5. Quantum Monte Carlo simulations of selected ammonia clusters (n = 2-5): isotope effects on the ground state of typical hydrogen bonded systems.
Curotto E; Mella M
J Chem Phys; 2010 Dec; 133(21):214301. PubMed ID: 21142298
[TBL] [Abstract][Full Text] [Related]
6. A stereographic projection path integral study of the coupling between the orientation and the bending degrees of freedom of water.
Curotto E; Freeman DL; Doll JD
J Chem Phys; 2008 May; 128(20):204107. PubMed ID: 18513010
[TBL] [Abstract][Full Text] [Related]
7. Stereographic projections path integral for inertia ellipsoids: applications to Arn-HF clusters.
Russo MF; Curotto E
J Chem Phys; 2004 Feb; 120(5):2110-21. PubMed ID: 15268349
[TBL] [Abstract][Full Text] [Related]
8. A reweighted random series method for stereographic projection path integrals.
Curotto E
J Chem Phys; 2005 Oct; 123(13):134102. PubMed ID: 16223270
[TBL] [Abstract][Full Text] [Related]
9. Path integral calculation of free energies: quantum effects on the melting temperature of neon.
Ramírez R; Herrero CP; Antonelli A; Hernández ER
J Chem Phys; 2008 Aug; 129(6):064110. PubMed ID: 18715054
[TBL] [Abstract][Full Text] [Related]
10. Partial averaging and the centroid virial estimator for stereographic projection path-integral simulations in curved spaces.
Avilés MW; Curotto E
J Chem Phys; 2005 Apr; 122(16):164109. PubMed ID: 15945674
[TBL] [Abstract][Full Text] [Related]
11. The thermodynamic and ground state properties of the TIP4P water octamer.
Asare E; Musah AR; Curotto E; Freeman DL; Doll JD
J Chem Phys; 2009 Nov; 131(18):184508. PubMed ID: 19916613
[TBL] [Abstract][Full Text] [Related]
12. Thermodynamics of hydrogen adsorption in slit-like carbon nanopores at 77 K. Classical versus path-integral Monte Carlo simulations.
Kowalczyk P; Gauden PA; Terzyk AP; Bhatia SK
Langmuir; 2007 Mar; 23(7):3666-72. PubMed ID: 17323981
[TBL] [Abstract][Full Text] [Related]
13. Path integral ground state study of finite-size systems: application to small (parahydrogen)N (N=2-20) clusters.
Cuervo JE; Roy PN
J Chem Phys; 2006 Sep; 125(12):124314. PubMed ID: 17014181
[TBL] [Abstract][Full Text] [Related]
14. Computational study of the melting-freezing transition in the quantum hard-sphere system for intermediate densities. II. Structural features.
Sesé LM; Bailey LE
J Chem Phys; 2007 Apr; 126(16):164509. PubMed ID: 17477616
[TBL] [Abstract][Full Text] [Related]
15. Quantum mechanical single molecule partition function from path integral Monte Carlo simulations.
Chempath S; Predescu C; Bell AT
J Chem Phys; 2006 Jun; 124(23):234101. PubMed ID: 16821901
[TBL] [Abstract][Full Text] [Related]
16. A path-integral Monte Carlo study of a small cluster: The Ar trimer.
Pérez de Tudela R; Márquez-Mijares M; González-Lezana T; Roncero O; Miret-Artés S; Delgado-Barrio G; Villarreal P
J Chem Phys; 2010 Jun; 132(24):244303. PubMed ID: 20590189
[TBL] [Abstract][Full Text] [Related]
17. Competing quantum effects in the dynamics of a flexible water model.
Habershon S; Markland TE; Manolopoulos DE
J Chem Phys; 2009 Jul; 131(2):024501. PubMed ID: 19603998
[TBL] [Abstract][Full Text] [Related]
18. Path integral evaluation of H diffusion on Ni(100) surface based on the quantum instanton approximation.
Wang W; Zhao Y
J Chem Phys; 2009 Mar; 130(11):114708. PubMed ID: 19317556
[TBL] [Abstract][Full Text] [Related]
19. A fast path integral method for polarizable force fields.
Fanourgakis GS; Markland TE; Manolopoulos DE
J Chem Phys; 2009 Sep; 131(9):094102. PubMed ID: 19739844
[TBL] [Abstract][Full Text] [Related]
20. On the solid- and liquidlike nature of quantum clusters in their ground state.
Cuervo JE; Roy PN
J Chem Phys; 2008 Jun; 128(22):224509. PubMed ID: 18554031
[TBL] [Abstract][Full Text] [Related]
[Next] [New Search]