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Journal Abstract Search

141 related items for PubMed ID: 16613459

  • 1. Isotope quantum effects in water around the freezing point.
    Hart RT, Mei Q, Benmore CJ, Neuefeind JC, Turner JF, Dolgos M, Tomberli B, Egelstaff PA.
    J Chem Phys; 2006 Apr 07; 124(13):134505. PubMed ID: 16613459
    [Abstract] [Full Text] [Related]

  • 2. 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
    [Abstract] [Full Text] [Related]

  • 3. Quantum effects in liquid water from an ab initio-based polarizable force field.
    Paesani F, Iuchi S, Voth GA.
    J Chem Phys; 2007 Aug 21; 127(7):074506. PubMed ID: 17718619
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  • 4. An accurate and simple quantum model for liquid water.
    Paesani F, Zhang W, Case DA, Cheatham TE, Voth GA.
    J Chem Phys; 2006 Nov 14; 125(18):184507. PubMed ID: 17115765
    [Abstract] [Full Text] [Related]

  • 5. Molecular dynamics studies of melting and solid-state transitions of ammonium nitrate.
    Velardez GF, Alavi S, Thompson DL.
    J Chem Phys; 2004 May 15; 120(19):9151-9. PubMed ID: 15267851
    [Abstract] [Full Text] [Related]

  • 6. 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
    [Abstract] [Full Text] [Related]

  • 7. The roles of electronic exchange and correlation in charge-transfer- to-solvent dynamics: Many-electron nonadiabatic mixed quantum/classical simulations of photoexcited sodium anions in the condensed phase.
    Glover WJ, Larsen RE, Schwartz BJ.
    J Chem Phys; 2008 Oct 28; 129(16):164505. PubMed ID: 19045282
    [Abstract] [Full Text] [Related]

  • 8. Characterization of the TIP4P-Ew water model: vapor pressure and boiling point.
    Horn HW, Swope WC, Pitera JW.
    J Chem Phys; 2005 Nov 15; 123(19):194504. PubMed ID: 16321097
    [Abstract] [Full Text] [Related]

  • 9. Liquid-vapor equilibrium isotopic fractionation of water: how well can classical water models predict it?
    Chialvo AA, Horita J.
    J Chem Phys; 2009 Mar 07; 130(9):094509. PubMed ID: 19275411
    [Abstract] [Full Text] [Related]

  • 10. Variable temperature neutron diffraction and X-ray charge density studies of tetraacetylethane.
    Piccoli PM, Koetzle TF, Schultz AJ, Zhurova EA, Stare J, Pinkerton AA, Eckert J, Hadzi D.
    J Phys Chem A; 2008 Jul 24; 112(29):6667-77. PubMed ID: 18593102
    [Abstract] [Full Text] [Related]

  • 11. Quantum diffusion in liquid water from ring polymer molecular dynamics.
    Miller TF, Manolopoulos DE.
    J Chem Phys; 2005 Oct 15; 123(15):154504. PubMed ID: 16252959
    [Abstract] [Full Text] [Related]

  • 12. Quantum effects in liquid water and ice: model dependence.
    Hernández de la Peña L, Kusalik PG.
    J Chem Phys; 2006 Aug 07; 125(5):054512. PubMed ID: 16942231
    [Abstract] [Full Text] [Related]

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  • 15. Kinetics, mechanism, and thermochemistry of the gas phase reaction of atomic chlorine with dimethyl sulfoxide.
    Nicovich JM, Parthasarathy S, Pope FD, Pegus AT, McKee ML, Wine PH.
    J Phys Chem A; 2006 Jun 01; 110(21):6874-85. PubMed ID: 16722703
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  • 19. Theoretical characterization of temperature and density dependence of liquid water electronic excitation energy: comparison with recent experimental data.
    D'Abramo M, Di Nola A, Aschi M, Amadei A.
    J Chem Phys; 2008 Jan 14; 128(2):021103. PubMed ID: 18205436
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