Erratum: “Evaluation of the work of adhesion at the interface between a surface-modified metal oxide and an organic solvent using molecular dynamics simulations” [J. Chem. Phys. 154, 114703 (2021)]

Takamasa Saito; Eita Shoji; Masaki Kubo; Takao Tsukada; Gota Kikugawa; Donatas Surblys

doi:10.1063/5.0062003

Erratum: “Evaluation of the work of adhesion at the interface between a surface-modified metal oxide and an organic solvent using molecular dynamics simulations” [J. Chem. Phys. 154, 114703 (2021)]

The Journal of Chemical Physics ◽

10.1063/5.0062003 ◽

2021 ◽

Vol 155 (6) ◽

pp. 069901

Author(s):

Takamasa Saito ◽

Eita Shoji ◽

Masaki Kubo ◽

Takao Tsukada ◽

Gota Kikugawa ◽

...

Keyword(s):

Molecular Dynamics ◽

Metal Oxide ◽

Organic Solvent ◽

Molecular Dynamics Simulations ◽

Chem Phys ◽

Work Of Adhesion ◽

Dynamics Simulations ◽

Surface Modified

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Evaluation of the work of adhesion at the interface between a surface-modified metal oxide and an organic solvent using molecular dynamics simulations

The Journal of Chemical Physics ◽

10.1063/5.0040900 ◽

2021 ◽

Vol 154 (11) ◽

pp. 114703

Author(s):

Takamasa Saito ◽

Eita Shoji ◽

Masaki Kubo ◽

Takao Tsukada ◽

Gota Kikugawa ◽

...

Keyword(s):

Molecular Dynamics ◽

Metal Oxide ◽

Organic Solvent ◽

Molecular Dynamics Simulations ◽

Work Of Adhesion ◽

Dynamics Simulations ◽

Surface Modified

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Erratum: “A pure H2O isolated line-shape model based on classical molecular dynamics simulations of velocity changes and semi-classical calculations of speed-dependent collisional parameters” [J. Chem. Phys. 136, 154310 (2012)]

The Journal of Chemical Physics ◽

10.1063/1.4719804 ◽

2012 ◽

Vol 136 (18) ◽

pp. 189901 ◽

Cited By ~ 3

Author(s):

N. H. Ngo ◽

H. Tran ◽

R. R. Gamache

Keyword(s):

Molecular Dynamics ◽

Molecular Dynamics Simulations ◽

Line Shape ◽

Chem Phys ◽

Shape Model ◽

Model Based ◽

Classical Molecular Dynamics ◽

Velocity Changes ◽

Dynamics Simulations

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Molecular dynamics simulations to investigate polymer–polymer and polymer–metal oxide interactions

Polymer ◽

10.1016/j.polymer.2006.11.014 ◽

2007 ◽

Vol 48 (1) ◽

pp. 409-416 ◽

Cited By ~ 97

Author(s):

B. Prathab ◽

V. Subramanian ◽

T.M. Aminabhavi

Keyword(s):

Molecular Dynamics ◽

Metal Oxide ◽

Molecular Dynamics Simulations ◽

Polymer Metal ◽

Dynamics Simulations

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Erratum: Molecular dynamics simulations of ordered alkane chains physisorbed on graphite [J. Chem. Phys. 96, 6213 (1992)]

The Journal of Chemical Physics ◽

10.1063/1.465125 ◽

1993 ◽

Vol 98 (2) ◽

pp. 1756-1757 ◽

Cited By ~ 4

Author(s):

R. Hentschke ◽

B. L. Schürmann ◽

J. P. Rabe

Keyword(s):

Molecular Dynamics ◽

Molecular Dynamics Simulations ◽

Chem Phys ◽

Dynamics Simulations

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Erratum: Molecular dynamics simulations of energy flow at a solid surface: New methods using a smaller number of atoms [J. Chem. Phys. 90, 1229 (1989)]

The Journal of Chemical Physics ◽

10.1063/1.457686 ◽

1989 ◽

Vol 91 (2) ◽

pp. 1385-1385

Author(s):

Andrew E. DePristo ◽

Horia Metiu

Keyword(s):

Molecular Dynamics ◽

Molecular Dynamics Simulations ◽

Solid Surface ◽

Energy Flow ◽

Chem Phys ◽

New Methods ◽

Dynamics Simulations

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Reply to the ‘Comment on “On using a too large integration time step in molecular dynamics simulations of coarse-grained molecular models”’ by S. J. Marrink, X. Periole, D. Peter Tieleman and Alex H. de Vries, Phys. Chem. Chem. Phys., 2010, 12, DOI: 10.1039/b915293h

Physical Chemistry Chemical Physics ◽

10.1039/b922516c ◽

2010 ◽

Vol 12 (9) ◽

pp. 2257 ◽

Cited By ~ 9

Author(s):

Wilfred F. van Gunsteren ◽

Moritz Winger

Keyword(s):

Molecular Dynamics ◽

Molecular Dynamics Simulations ◽

Chem Phys ◽

Coarse Grained ◽

Integration Time ◽

Molecular Models ◽

Time Step ◽

De Vries ◽

Dynamics Simulations ◽

Phys Chem Chem Phys

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Metal oxide surface dynamics from molecular dynamics simulations: the α-Al2O3(0001) surface

Surface Science ◽

10.1016/s0039-6028(00)00988-2 ◽

2001 ◽

Vol 474 (1-3) ◽

pp. 107-113 ◽

Cited By ~ 28

Author(s):

Micael Baudin ◽

Kersti Hermansson

Keyword(s):

Molecular Dynamics ◽

Metal Oxide ◽

Molecular Dynamics Simulations ◽

Oxide Surface ◽

Surface Dynamics ◽

Metal Oxide Surface ◽

Α Al2o3 ◽

Dynamics Simulations

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Molecular Structure and Work of Adhesion of Poly(n-butyl acrylate) and Poly(n-butyl acrylate-co-acrylic acid) on α-Quartz, α-Ferric Oxide, and α-Ferrite from Detailed Molecular Dynamics Simulations

Macromolecules ◽

10.1021/acs.macromol.5b01469 ◽

2015 ◽

Vol 48 (22) ◽

pp. 8262-8284 ◽

Cited By ~ 8

Author(s):

Alexandros Anastassiou ◽

Vlasis G. Mavrantzas

Keyword(s):

Molecular Structure ◽

Molecular Dynamics ◽

Acrylic Acid ◽

Molecular Dynamics Simulations ◽

Ferric Oxide ◽

Butyl Acrylate ◽

Work Of Adhesion ◽

Dynamics Simulations

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Effect of organic solvent on mutual diffusion and ionic behavior near liquid–liquid interface by molecular dynamics simulations

Journal of Molecular Liquids ◽

10.1016/j.molliq.2014.05.025 ◽

2014 ◽

Vol 197 ◽

pp. 243-250 ◽

Cited By ~ 8

Author(s):

Kazunori Kadota ◽

Taiki Wake ◽

Kazuki Gonda ◽

Akira Kitayama ◽

Yuichi Tozuka ◽

...

Keyword(s):

Molecular Dynamics ◽

Organic Solvent ◽

Molecular Dynamics Simulations ◽

Liquid Interface ◽

Mutual Diffusion ◽

Dynamics Simulations

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Analysis of the effect of organic solvent–sheet interfacial interaction on the exfoliation of sulfur-doped reduced graphene oxide sheets in a solvent system using molecular dynamics simulations

Physical Chemistry Chemical Physics ◽

10.1039/d0cp03498c ◽

2020 ◽

Vol 22 (36) ◽

pp. 20665-20672

Author(s):

Yuna Oh ◽

Hoi Kil Choi ◽

Hana Jung ◽

Jeong-Un Jin ◽

Young-Kwan Kim ◽

...

Keyword(s):

Molecular Dynamics ◽

Graphene Oxide ◽

Organic Solvent ◽

Molecular Dynamics Simulations ◽

Reduced Graphene Oxide ◽

Solvent System ◽

Interfacial Interaction ◽

Reduced Graphene ◽

Dynamics Simulations ◽

Graphene Oxide Sheets

In this study, the effect of interfacial interaction between solvent and sheets on the exfoliation of sulfur-doped reduced graphene oxide (SrGO) sheets was studied, using molecular dynamics simulations.

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