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Volumn 63, Issue 4, 2001, Pages

Thermodynamic and structural aspects of the potential energy surface of simulated water

Author keywords

[No Author keywords available]

Indexed keywords

COMPUTER SIMULATION; DYNAMICS; GLASS TRANSITION; LOW TEMPERATURE EFFECTS; MATHEMATICAL MODELS; MOLECULAR DYNAMICS; MOLECULAR VIBRATIONS; PHASE EQUILIBRIA; SURFACE PROPERTIES; THERMODYNAMICS;

EID: 0035305839     PISSN: 1063651X     EISSN: None     Source Type: Journal    
DOI: 10.1103/PhysRevE.63.041201     Document Type: Article
Times cited : (85)

References (68)
  • 1
    • 85035252645 scopus 로고    scopus 로고
    • See, for example, K. Binder et al., in Complex Behaviour of Glassy Systems, edited by M. Rubí and C. Perez-Vicente (Springer, Berlin, 1997)
    • See, for example, K. Binder et al., in Complex Behaviour of Glassy Systems, edited by M. Rubí and C. Perez-Vicente (Springer, Berlin, 1997);
  • 39
  • 49
    • 85035294415 scopus 로고    scopus 로고
    • Ref. 28 the IS energy of the liquid at 230 K was found to be lower than that of the estimated ice (Formula presented) ground state energy for (Formula presented) and (Formula presented). In contrast, our results show that ice (Formula presented) is at a significantly lower energy than than the liquid IS at a lower temperature of 210 K. This is most likely explained by the fact that our results are direct calculation of the IS energy, while the results of Ref. 28 are only an estimation of the ground state energies
    • In Ref. 28 the IS energy of the liquid at 230 K was found to be lower than that of the estimated ice (Formula presented) ground state energy for (Formula presented) and (Formula presented). In contrast, our results show that ice (Formula presented) is at a significantly lower energy than than the liquid IS at a lower temperature of 210 K. This is most likely explained by the fact that our results are direct calculation of the IS energy, while the results of Ref. 28 are only an estimation of the ground state energies.
  • 55
    • 85035288188 scopus 로고    scopus 로고
    • Solid State Phys. 42, 77 (1999).
    • (1999) Solid State Phys. , vol.42 , pp. 77


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.