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Journal Abstract Search

430 related items for PubMed ID: 18629805

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  • 3. Atomistic simulation of a nematogen using a force field derived from quantum chemical calculations.
    Cacelli I, Prampolini G, Tani A.
    J Phys Chem B; 2005 Mar 03; 109(8):3531-8. PubMed ID: 16851390
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  • 4. Glassy dynamics of liquid crystalline 4(')-n-pentyl-4-cyanobiphenyl in the isotropic and supercooled nematic phases.
    Drozd-Rzoska A.
    J Chem Phys; 2009 Jun 21; 130(23):234910. PubMed ID: 19548759
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  • 5. Incoherent quasielastic neutron scattering study of molecular dynamics of 4-n-octyl-4'-cyanobiphenyl.
    Lefort R, Morineau D, Guégan R, Ecolivet C, Guendouz M, Zanotti JM, Frick B.
    Phys Chem Chem Phys; 2008 May 28; 10(20):2993-9. PubMed ID: 18473048
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  • 7. GolP: an atomistic force-field to describe the interaction of proteins with Au(111) surfaces in water.
    Iori F, Di Felice R, Molinari E, Corni S.
    J Comput Chem; 2009 Jul 15; 30(9):1465-76. PubMed ID: 19037859
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  • 8. 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
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  • 9. An atomistic description of the nematic and smectic phases of 4-n-octyl-4' cyanobiphenyl (8CB).
    Palermo MF, Pizzirusso A, Muccioli L, Zannoni C.
    J Chem Phys; 2013 May 28; 138(20):204901. PubMed ID: 23742510
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  • 13. A molecular mechanics force field for lignin.
    Petridis L, Smith JC.
    J Comput Chem; 2009 Feb 28; 30(3):457-67. PubMed ID: 18677707
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  • 14. Development of many-body polarizable force fields for Li-battery components: 1. Ether, alkane, and carbonate-based solvents.
    Borodin O, Smith GD.
    J Phys Chem B; 2006 Mar 30; 110(12):6279-92. PubMed ID: 16553446
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  • 15. How accurate can a force field become? A polarizable multipole model combined with fragment-wise quantum-mechanical calculations.
    Söderhjelm P, Ryde U.
    J Phys Chem A; 2009 Jan 22; 113(3):617-27. PubMed ID: 19093829
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  • 17. Effective force field for liquid hydrogen fluoride from ab initio molecular dynamics simulation using the force-matching method.
    Izvekov S, Voth GA.
    J Phys Chem B; 2005 Apr 14; 109(14):6573-86. PubMed ID: 16851738
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  • 18. Chiral periodic mesoporous organosilicates based on axially chiral monomers: transmission of chirality in the solid state.
    MacQuarrie S, Thompson MP, Blanc A, Mosey NJ, Lemieux RP, Crudden CM.
    J Am Chem Soc; 2008 Oct 29; 130(43):14099-101. PubMed ID: 18831584
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  • 19. Optical absorption of methoxy and carboethoxy derivatives of 1,3-diphenyl-1H-pyrazolo[3,4-b]quinoline.
    Całus S, Gondek E, Pokladko M, Kulig E, Jarosz B, Kityk AV.
    Spectrochim Acta A Mol Biomol Spectrosc; 2007 Jul 29; 67(3-4):1007-15. PubMed ID: 17084661
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