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Types of phases obtained by molecular dynamics simulations upon freezing of hexadecane-containing systems
Sonya Tsibranska, Stoyan Iliev, Anela Ivanova, Nikola Aleksandrov, Slavka Tcholakova and Nikolai Denkov Colloids and Surfaces A: Physicochemical and Engineering Aspects 697 134466 (2024) https://doi.org/10.1016/j.colsurfa.2024.134466
Computational assessment of hexadecane freezing by equilibrium atomistic molecular dynamics simulations
Stoyan Iliev, Sonya Tsibranska, Anela Ivanova, Slavka Tcholakova and Nikolai Denkov Journal of Colloid and Interface Science 638 743 (2023) https://doi.org/10.1016/j.jcis.2023.01.126
Molecular dynamics simulations of phase change materials for thermal energy storage: a review
A metastable nematic precursor accelerates polyethylene oligomer crystallization as determined by atomistic simulations and self-consistent field theory
Molecular Dynamics Simulation of Pure n-Alkanes and Their Mixtures at Elevated Temperatures Using Atomistic and Coarse-Grained Force Fields
Konstantinos D. Papavasileiou, Loukas D. Peristeras, Andreas Bick and Ioannis G. Economou The Journal of Physical Chemistry B 123(29) 6229 (2019) https://doi.org/10.1021/acs.jpcb.9b02840
Direct All-Atom Molecular Dynamics Simulations of the Effects of Short Chain Branching on Polyethylene Oligomer Crystal Nucleation
Transport Across Natural and Modified Biological Membranes and its Implications in Physiology and Therapy
Mounir Tarek Advances in Anatomy, Embryology and Cell Biology, Transport Across Natural and Modified Biological Membranes and its Implications in Physiology and Therapy 227 1 (2017) https://doi.org/10.1007/978-3-319-56895-9_1
Determination of Diesel Physical Properties at Injection Pressures and Temperatures via All-Atom Molecular Simulations
Abhinav Verma, Roger Cracknell, David Doyle and Indranil Rudra SAE International Journal of Fuels and Lubricants 9(3) (2016) https://doi.org/10.4271/2016-01-2253
Phase transitions among the rotator phases of the normal alkanes: A review
D2O Water Interaction with Textured Carboxylic Acid-Terminated Monolayer Surfaces Characterized by Temperature-Programmed Desorption and Molecular Dynamics
Ronald L. Grimm, Douglas J. Tobias and John C. Hemminger The Journal of Physical Chemistry C 114(3) 1570 (2010) https://doi.org/10.1021/jp9064642
Crystal and rotator phases of n-alkanes: A molecular dynamics study
Structure and Dynamics of Hydrogen Bonds in the Interface of a C12E6 Spherical Micelle in Water Solution: A MD Study at Various Temperatures
Fabio Sterpone, Carlo Pierleoni, Giuseppe Briganti and Massimo Marchi The Journal of Physical Chemistry B 110(37) 18254 (2006) https://doi.org/10.1021/jp0602070
Membrane Permeability - 100 Years since Ernest Overton
Andrew Pohorille, Michael H. New, Karl Schweighofer and Michael A. Wilson Current Topics in Membranes, Membrane Permeability - 100 Years since Ernest Overton 48 49 (1999) https://doi.org/10.1016/S0070-2161(08)61041-2
Numerical prediction of the melting curve of n-octane