Search Results - "Free energy"

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  1. 1
    Automated design of energy functions for protein structure prediction by means of genetic programming and improved structure similarity assessment

    Automated design of energy functions for protein structure prediction by means of genetic programming and improved structure similarity assessment by Widera, Paweł

    Published 2010
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  2. 2
    Correlation of Some Dielectric Properties with Processing and Microstructure in Mg-Sn-O System

    Correlation of Some Dielectric Properties with Processing and Microstructure in Mg-Sn-O System by Ahmad Taha, Iftetan, Hashim, Mansor

    Published 1999
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  3. 3
    Improving the efficiency of computation of free energy differences

    Improving the efficiency of computation of free energy differences by Taylor, Zoe Rebecca

    Published 2011
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  4. 4
    Self-Assembling of Zinc Phthalocyanines on ZnO (1010) Surface through Multiple Time Scales

    Self-Assembling of Zinc Phthalocyanines on ZnO (1010) Surface through Multiple Time Scales by Melis, C., Raiteri, Paolo, Colombo, L., Mattoni, A.

    Published 2011
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  5. 5
    Chemically modified bitumens with enhanced rheology and adhesion properties to siliceous aggregates

    Chemically modified bitumens with enhanced rheology and adhesion properties to siliceous aggregates by Cuadri, A.A., Partal, P., Ahmad, N., Grenfell, J., Airey, G.

    Published 2015
    Subjects: “…Asphalt mixtures; Moisture damage; Surface free energy; Bitumen chemical modification; Product design…”
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  6. 6
    A bias-exchange approach to protein folding

    A bias-exchange approach to protein folding by Piana, Stefano, Laio, A.

    Published 2007
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  7. 7
    Free energy of binding of coiled-coil complexes with different electrostatic environments: the influence of force field polarisation and capping

    Free energy of binding of coiled-coil complexes with different electrostatic environments: the influence of force field polarisation and capping by Zhuo, Z., Guo, L., Mancera, Ricardo

    Published 2014
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  8. 8
    Computational Insights into Mg2+ Dehydration in the Presence of Carbonate

    Computational Insights into Mg2+ Dehydration in the Presence of Carbonate by Aufort, Julie, Raiteri, Paolo, Gale, Julian

    Published 2022
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  9. 9
    Evaluation of the degradation of fine asphalt-aggregate mixtures containing high reclaimed asphalt pavement contents

    Evaluation of the degradation of fine asphalt-aggregate mixtures containing high reclaimed asphalt pavement contents by Sánchez, Diana B., Grenfell, James, Airey, Gordon, Caro, Silvia

    Published 2017
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  10. 10
    Development of accurate force fields for the simulation of biomineralisation

    Development of accurate force fields for the simulation of biomineralisation by Raiteri, Paolo, Demichelis, Raffaella, Gale, Julian

    Published 2013
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  11. 11
    On the coexistence pressure between the bulk and adsorbed argon on substrates of different strength – Temperature dependence of the characteristics of the adsorbate

    On the coexistence pressure between the bulk and adsorbed argon on substrates of different strength – Temperature dependence of the characteristics of the adsorbate by Prasetyo, L., Xu, H., Fan, Chunyan, Do, D.D., Nicholson, D.

    Published 2019
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  12. 12
    Calcite (104) Surface-Electrolyte Structure: A 3D Comparison of Surface X-ray Diffraction and Simulations

    Calcite (104) Surface-Electrolyte Structure: A 3D Comparison of Surface X-ray Diffraction and Simulations by Brugman, S.J.T., Raiteri, Paolo, Accordini, P., Megens, F., Gale, Julian, Vlieg, E.

    Published 2020
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  13. 13
    Simulating the binding of key organic functional groups to aqueous calcium carbonate species

    Simulating the binding of key organic functional groups to aqueous calcium carbonate species by Schuitemaker, Alicia, Aufort, Julie, Koziara, K.B., Demichelis, Raffaella, Raiteri, Paolo, Gale, Julian

    Published 2021
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