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187 related items for PubMed ID: 35397618

  • 1. Evidence of a liquid-liquid phase transition in H[Formula: see text]O and D[Formula: see text]O from path-integral molecular dynamics simulations.
    Eltareb A, Lopez GE, Giovambattista N.
    Sci Rep; 2022 Apr 09; 12(1):6004. PubMed ID: 35397618
    [Abstract] [Full Text] [Related]

  • 2. Nuclear quantum effects on the thermodynamic, structural, and dynamical properties of water.
    Eltareb A, Lopez GE, Giovambattista N.
    Phys Chem Chem Phys; 2021 Mar 21; 23(11):6914-6928. PubMed ID: 33729222
    [Abstract] [Full Text] [Related]

  • 3. The Importance of Nuclear Quantum Effects on the Thermodynamic and Structural Properties of Low-Density Amorphous Ice: A Comparison with Hexagonal Ice.
    Eltareb A, Lopez GE, Giovambattista N.
    J Phys Chem B; 2023 May 25; 127(20):4633-4645. PubMed ID: 37178124
    [Abstract] [Full Text] [Related]

  • 4. Potential energy landscape of a flexible water model: Equation of state, configurational entropy, and Adam-Gibbs relationship.
    Eltareb A, Lopez GE, Giovambattista N.
    J Chem Phys; 2024 Apr 21; 160(15):. PubMed ID: 38639318
    [Abstract] [Full Text] [Related]

  • 5. On the possible locus of the liquid-liquid critical point in real water from studies of supercooled water using the TIP4P/Ice model.
    Espinosa JR, Abascal JLF, Sedano LF, Sanz E, Vega C.
    J Chem Phys; 2023 May 28; 158(20):. PubMed ID: 37226991
    [Abstract] [Full Text] [Related]

  • 6. Two-structure thermodynamics for the TIP4P/2005 model of water covering supercooled and deeply stretched regions.
    Biddle JW, Singh RS, Sparano EM, Ricci F, González MA, Valeriani C, Abascal JL, Debenedetti PG, Anisimov MA, Caupin F.
    J Chem Phys; 2017 Jan 21; 146(3):034502. PubMed ID: 28109212
    [Abstract] [Full Text] [Related]

  • 7. Nuclear quantum effects on the liquid-liquid phase transition of a water-like monatomic liquid.
    Nguyen B, Lopez GE, Giovambattista N.
    Phys Chem Chem Phys; 2018 Mar 28; 20(12):8210-8217. PubMed ID: 29528051
    [Abstract] [Full Text] [Related]

  • 8. Confinement effects on the liquid-liquid phase transition and anomalous properties of a monatomic water-like liquid.
    Sun G, Giovambattista N, Xu L.
    J Chem Phys; 2015 Dec 28; 143(24):244503. PubMed ID: 26723688
    [Abstract] [Full Text] [Related]

  • 9. Pressure-induced transformations in glassy water: A computer simulation study using the TIP4P/2005 model.
    Wong J, Jahn DA, Giovambattista N.
    J Chem Phys; 2015 Aug 21; 143(7):074501. PubMed ID: 26298139
    [Abstract] [Full Text] [Related]

  • 10. Elucidating the role of water in collagen self-assembly by isotopically modulating collagen hydration.
    Giubertoni G, Feng L, Klein K, Giannetti G, Rutten L, Choi Y, van der Net A, Castro-Linares G, Caporaletti F, Micha D, Hunger J, Deblais A, Bonn D, Sommerdijk N, Šarić A, Ilie IM, Koenderink GH, Woutersen S.
    Proc Natl Acad Sci U S A; 2024 Mar 12; 121(11):e2313162121. PubMed ID: 38451946
    [Abstract] [Full Text] [Related]

  • 11. Equation of state for He bubbles in W and model of He bubble growth and bursting near W{100} surfaces derived from molecular dynamics simulations.
    Setyawan W, Dasgupta D, Blondel S, Nandipati G, Hammond KD, Maroudas D, Wirth BD.
    Sci Rep; 2023 Jun 13; 13(1):9601. PubMed ID: 37311783
    [Abstract] [Full Text] [Related]

  • 12. Impact of nuclear quantum effects on the structural inhomogeneity of liquid water.
    Berger A, Ciardi G, Sidler D, Hamm P, Shalit A.
    Proc Natl Acad Sci U S A; 2019 Feb 12; 116(7):2458-2463. PubMed ID: 30692247
    [Abstract] [Full Text] [Related]

  • 13. A comprehensive scenario of the thermodynamic anomalies of water using the TIP4P/2005 model.
    González MA, Valeriani C, Caupin F, Abascal JL.
    J Chem Phys; 2016 Aug 07; 145(5):054505. PubMed ID: 27497563
    [Abstract] [Full Text] [Related]

  • 14. Two-state thermodynamics and the possibility of a liquid-liquid phase transition in supercooled TIP4P/2005 water.
    Singh RS, Biddle JW, Debenedetti PG, Anisimov MA.
    J Chem Phys; 2016 Apr 14; 144(14):144504. PubMed ID: 27083735
    [Abstract] [Full Text] [Related]

  • 15. Direct assessment of quantum nuclear effects on hydrogen bond strength by constrained-centroid ab initio path integral molecular dynamics.
    Walker B, Michaelides A.
    J Chem Phys; 2010 Nov 07; 133(17):174306. PubMed ID: 21054031
    [Abstract] [Full Text] [Related]

  • 16. Nuclear quantum effects on the dynamics and glass behavior of a monatomic liquid with two liquid states.
    Eltareb A, Lopez GE, Giovambattista N.
    J Chem Phys; 2022 May 28; 156(20):204502. PubMed ID: 35649856
    [Abstract] [Full Text] [Related]

  • 17. Evidence for a liquid-liquid critical point in supercooled water within the E3B3 model and a possible interpretation of the kink in the homogeneous nucleation line.
    Ni Y, Skinner JL.
    J Chem Phys; 2016 Jun 07; 144(21):214501. PubMed ID: 27276957
    [Abstract] [Full Text] [Related]

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