502 related articles for article (PubMed ID: 16942239)
1. Free energy of the solid C60 fullerene orientational order-disorder transition.
Chang J; Sandler SI
J Chem Phys; 2006 Aug; 125(5):054705. PubMed ID: 16942239
[TBL] [Abstract][Full Text] [Related]
2. Monte Carlo simulations for the free energies of C60 and C70 fullerene crystals by acceptance ratio method and expanded ensemble method.
Kim M; Chang J; Sandler SI
J Chem Phys; 2014 Feb; 140(8):084110. PubMed ID: 24588151
[TBL] [Abstract][Full Text] [Related]
3. Thermal behavior of disordered phase of caffeine molecular crystal: insights from Monte Carlo simulation studies.
Murugan NA; Sayeed A
J Chem Phys; 2009 May; 130(20):204514. PubMed ID: 19485464
[TBL] [Abstract][Full Text] [Related]
4. Orientational melting and reorientational motion in a cubane molecular crystal: a molecular simulation study.
Murugan NA
J Phys Chem B; 2005 Dec; 109(50):23955-62. PubMed ID: 16375384
[TBL] [Abstract][Full Text] [Related]
5. Orientational ordering and low-temperature libration in the rotor-stator cocrystals of fullerenes and cubane.
Nemes NM; García-Hernández M; Bortel G; Kováts E; Nagy BJ; Jalsovszky I; Pekker S
J Phys Chem B; 2009 Feb; 113(7):2042-9. PubMed ID: 19173635
[TBL] [Abstract][Full Text] [Related]
6. Friction and adhesion between C60 single crystal surfaces and AFM tips: effects of the orientational phase transition.
Liang Q; Li H; Xu Y; Xiao X
J Phys Chem B; 2006 Jan; 110(1):403-9. PubMed ID: 16471549
[TBL] [Abstract][Full Text] [Related]
7. Efficient calculation of α- and β-nitrogen free energies and coexistence conditions via overlap sampling with targeted perturbation.
Tan TB; Schultz AJ; Kofke DA
J Chem Phys; 2011 Jul; 135(4):044125. PubMed ID: 21806108
[TBL] [Abstract][Full Text] [Related]
8. A calorimetric study on the low temperature dynamics of doped ice V and its reversible phase transition to hydrogen ordered ice XIII.
Salzmann CG; Radaelli PG; Finney JL; Mayer E
Phys Chem Chem Phys; 2008 Nov; 10(41):6313-24. PubMed ID: 18936855
[TBL] [Abstract][Full Text] [Related]
9. Determination of fluid--solid transitions in model protein solutions using the histogram reweighting method and expanded ensemble simulations.
Chang J; Lenhoff AM; Sandler SI
J Chem Phys; 2004 Feb; 120(6):3003-14. PubMed ID: 15268448
[TBL] [Abstract][Full Text] [Related]
10. What does pressure decide to cook with orientationally disordered plastic phase of cubane: an orientational glass or crystal?
Arul Murugan N
J Chem Phys; 2005 Dec; 123(24):244514. PubMed ID: 16396556
[TBL] [Abstract][Full Text] [Related]
11. Revisiting the Frenkel-Ladd method to compute the free energy of solids: the Einstein molecule approach.
Vega C; Noya EG
J Chem Phys; 2007 Oct; 127(15):154113. PubMed ID: 17949138
[TBL] [Abstract][Full Text] [Related]
12. Critical comparison of classical and quantum mechanical treatments of the phase equilibria of water.
Wick CD; Schenter GK
J Chem Phys; 2006 Mar; 124(11):114505. PubMed ID: 16555899
[TBL] [Abstract][Full Text] [Related]
13. Classical and quantum gibbs free energies and phase behavior of water using simulation and cell theory.
Klefas-Stennett M; Henchman RH
J Phys Chem B; 2008 Aug; 112(32):9769-76. PubMed ID: 18637683
[TBL] [Abstract][Full Text] [Related]
14. Study on the intermolecular interaction of C60 and simulations on the orientational properties of C60 in crystals.
Kita Y; Wako K; Goto H; Naito T; Kawai H; Okada I
J Chem Phys; 2006 Jul; 125(3):34506. PubMed ID: 16863361
[TBL] [Abstract][Full Text] [Related]
15. Surface phase transitions in one-dimensional channels arranged in a triangular cross-sectional structure: theory and Monte Carlo simulations.
Pasinetti PM; Romá F; Riccardo JL; Ramirez-Pastor AJ
J Chem Phys; 2006 Dec; 125(21):214705. PubMed ID: 17166038
[TBL] [Abstract][Full Text] [Related]
16. Monte Carlo simulations of 1,3,5-triamino-2,4,6-trinitrobenzene (TATB): Pressure and temperature effects for the solid phase and vapor-liquid phase equilibria.
Rai N; Bhatt D; Siepmann JI; Fried LE
J Chem Phys; 2008 Nov; 129(19):194510. PubMed ID: 19026069
[TBL] [Abstract][Full Text] [Related]
17. Orientational ordering in solid C60 fullerene-cubane.
Verberck B; Vliegenthart GA; Gompper G
J Chem Phys; 2009 Apr; 130(15):154510. PubMed ID: 19388762
[TBL] [Abstract][Full Text] [Related]
18. Reaction rate of propene pyrolysis.
Han P; Su K; Liu Y; Wang Y; Wang X; Zeng Q; Cheng L; Zhang L
J Comput Chem; 2011 Oct; 32(13):2745-55. PubMed ID: 21717476
[TBL] [Abstract][Full Text] [Related]
19. Accurate ab initio and "hybrid" potential energy surfaces, intramolecular vibrational energies, and classical ir spectrum of the water dimer.
Shank A; Wang Y; Kaledin A; Braams BJ; Bowman JM
J Chem Phys; 2009 Apr; 130(14):144314. PubMed ID: 19368452
[TBL] [Abstract][Full Text] [Related]
20. Molecular dynamics studies of melting and solid-state transitions of ammonium nitrate.
Velardez GF; Alavi S; Thompson DL
J Chem Phys; 2004 May; 120(19):9151-9. PubMed ID: 15267851
[TBL] [Abstract][Full Text] [Related]
[Next] [New Search]