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Journal Abstract Search

499 related items for PubMed ID: 18715054

  • 1. 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 14; 129(6):064110. PubMed ID: 18715054
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  • 2. Quantum path-integral study of the phase diagram and isotope effects of neon.
    Ramírez R, Herrero CP.
    J Chem Phys; 2008 Nov 28; 129(20):204502. PubMed ID: 19045868
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  • 6. Ab initio melting curve of molybdenum by the phase coexistence method.
    Cazorla C, Gillan MJ, Taioli S, Alfè D.
    J Chem Phys; 2007 May 21; 126(19):194502. PubMed ID: 17523817
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  • 8. Melting line of the Lennard-Jones system, infinite size, and full potential.
    Mastny EA, de Pablo JJ.
    J Chem Phys; 2007 Sep 14; 127(10):104504. PubMed ID: 17867758
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  • 10. Hybrid quantum/classical path integral approach for simulation of hydrogen transfer reactions in enzymes.
    Wang Q, Hammes-Schiffer S.
    J Chem Phys; 2006 Nov 14; 125(18):184102. PubMed ID: 17115733
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  • 12. Effective temperature representation of quantum delocalization effects on the dynamics of NO(A(2)Sigma(+) <--X(2)Pi(+)) photoexcitation in Ne matrices.
    Uranga-Piña L, Martínez-Mesa A, García-Reyes L, Rubayo-Soneira J.
    Phys Chem Chem Phys; 2009 Jul 14; 11(26):5358-68. PubMed ID: 19551203
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  • 16. Computing the melting point and thermodynamic stability of the orthorhombic and monoclinic crystalline polymorphs of the ionic liquid 1-n-butyl-3-methylimidazolium chloride.
    Jayaraman S, Maginn EJ.
    J Chem Phys; 2007 Dec 07; 127(21):214504. PubMed ID: 18067361
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  • 18. Nonequilibrium melting and crystallization of a model Lennard-Jones system.
    Luo SN, Strachan A, Swift DC.
    J Chem Phys; 2004 Jun 22; 120(24):11640-9. PubMed ID: 15268198
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  • 19. Competing quantum effects in the dynamics of a flexible water model.
    Habershon S, Markland TE, Manolopoulos DE.
    J Chem Phys; 2009 Jul 14; 131(2):024501. PubMed ID: 19603998
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