Difference between revisions of "Template:Reference list"

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(Created page with "<references> <ref name="caleman_2012"> C. Caleman and P.J. van Maaren and M. Hong and J.S. Hub and L.T. Costa and D. van der Spoel. ''Force field benchmark of organic liquids:...")
 
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<ref name="bartok_2010">
C. Caleman and P.J. van Maaren and M. Hong and J.S. Hub and L.T. Costa and D. van der Spoel.
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A.P. Bartók, M.C. Payne, R. Kondor, and G. Csányi. ''Gaussian approximation potentials: The accuracy of quantum mechanics, without the electrons''.
''Force field benchmark of organic liquids: Density, enthalpy of vaporization, heat capacities, surface tension, isothermal compressibility, volumetric expansion coefficient, and dielectric constant''.
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[https://journals.aps.org/prl/abstract/10.1103/PhysRevLett.104.136403 Phys. Rev. Lett. '''104''', 136403 (2010)].
[http://pubs.acs.org/doi/abs/10.1021/ct200731v J. Chem. Theory Comput. '''8''', 61 (2012)].
 
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<ref name="caro_2016">
 
M.A. Caro, T. Laurila, and O. Lopez-Acevedo. ''Accurate schemes for calculation of thermodynamic properties of liquid mixtures from molecular dynamics simulations''. [http://aip.scitation.org/doi/full/10.1063/1.4973001 J. Chem. Phys. '''145''', 244504 (2016)].
 
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<ref name="lama_1965">
 
R.F. Lama and B.C.-Y. Lu. ''Excess thermodynamic properties of aqueous alcohol solutions''.
 
[http://pubs.acs.org/doi/abs/10.1021/je60026a003 J. Chem. Eng. Data '''10''', 216 (1965)].
 
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<ref name="lai_2012">
 
P.-K. Lai, C.-M. Hsieh and S.-T. Lin. ''Rapid determination of entropy and free energy of mixtures from molecular dynamics simulations with the two-phase thermodynamic model''. [https://doi.org/10.1039/C2CP42011B Phys. Chem. Chem. Phys. '''14''', 15206 (2012)].
 
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<ref name="lin_2003">
 
S.-T. Lin, M. Blanco and W.A. Goddard III. ''The two-phase model for calculating thermodynamic properties of liquids from molecular dynamics: Validation for the phase diagram of Lennard-Jones fluids''. [https://aip.scitation.org/doi/10.1063/1.1624057 J. Chem. Phys. '''119''', 11792 (2003)].
 
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<ref name="caro_2017b">
 
M.A. Caro, O. Lopez-Acevedo, and T. Laurila}. ''Redox potentials from ab initio molecular dynamics and explicit entropy calculations: application to transition metals in aqueous solution''.
 
[https://pubs.acs.org/doi/abs/10.1021/acs.jctc.7b00314 J. Chem. Theory Comput. '''13''', 3432 (2017)].
 
 
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Revision as of 10:12, 6 May 2021