Hydration free energy of a Model Lennard-Jones solute particle: Microscopic Monte Carlo simulation studies, and interpretation based on mesoscopic models

Magdalena Gruziel; Witold R. Rudnicki; Bogdan Lesyng

doi:10.1063/1.2828192

Hydration free energy of a Model Lennard-Jones solute particle: Microscopic Monte Carlo simulation studies, and interpretation based on mesoscopic models

The Journal of Chemical Physics ◽

10.1063/1.2828192 ◽

2008 ◽

Vol 128 (6) ◽

pp. 064503 ◽

Cited By ~ 5

Author(s):

Magdalena Gruziel ◽

Witold R. Rudnicki ◽

Bogdan Lesyng

Keyword(s):

Monte Carlo Simulation ◽

Monte Carlo ◽

Free Energy ◽

Simulation Studies ◽

Hydration Free Energy ◽

Lennard Jones ◽

Mesoscopic Models ◽

Solute Particle

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Monte Carlo simulation on the free energy of homogeneous nucleation in the supersaturated Lennard–Jones vapor phase

Fluid Phase Equilibria ◽

10.1016/s0378-3812(01)00665-3 ◽

2002 ◽

Vol 194-197 ◽

pp. 207-217 ◽

Cited By ~ 3

Author(s):

Yosuke Kataoka ◽

Yuri Yamada

Keyword(s):

Monte Carlo Simulation ◽

Monte Carlo ◽

Free Energy ◽

Vapor Phase ◽

Homogeneous Nucleation ◽

Lennard Jones

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Monte Carlo simulation studies in Japan on interaction of charged particles with solids during those early days in 1960s–1970s

Nuclear Instruments and Methods in Physics Research Section B Beam Interactions with Materials and Atoms ◽

10.1016/j.nimb.2005.03.033 ◽

2005 ◽

Vol 232 (1-4) ◽

pp. 117-124 ◽

Cited By ~ 2

Author(s):

Ryuichi Shimizu

Keyword(s):

Monte Carlo Simulation ◽

Monte Carlo ◽

Charged Particles ◽

Simulation Studies

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Origanum compactum essential oil as a green inhibitor for mild steel in 1 M hydrochloric acid solution: Experimental and Monte Carlo simulation studies

Materials Today Proceedings ◽

10.1016/j.matpr.2021.02.233 ◽

2021 ◽

Author(s):

J. Lazrak ◽

El H. El Assiri ◽

N. Arrousse ◽

F. El-Hajjaji ◽

M. Taleb ◽

...

Keyword(s):

Monte Carlo Simulation ◽

Monte Carlo ◽

Hydrochloric Acid ◽

Essential Oil ◽

Acid Solution ◽

Mild Steel ◽

Hydrochloric Acid Solution ◽

Simulation Studies ◽

Green Inhibitor ◽

Origanum Compactum

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Gravimetric, Electrochemical, Surface Morphology, DFT, and Monte Carlo Simulation Studies on Three N-Substituted 2-Aminopyridine Derivatives as Corrosion Inhibitors of Mild Steel in Acidic Medium

The Journal of Physical Chemistry C ◽

10.1021/acs.jpcc.8b02740 ◽

2018 ◽

Vol 122 (22) ◽

pp. 11870-11882 ◽

Cited By ~ 35

Author(s):

Chandrabhan Verma ◽

Lukman O. Olasunkanmi ◽

Taiwo W. Quadri ◽

El-Sayed M. Sherif ◽

Eno E. Ebenso

Keyword(s):

Monte Carlo Simulation ◽

Monte Carlo ◽

Surface Morphology ◽

Mild Steel ◽

Acidic Medium ◽

Corrosion Inhibitors ◽

Simulation Studies

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Extending fragment-based free energy calculations with library monte carlo simulation: Annealing in interaction space

Journal of Computational Chemistry ◽

10.1002/jcc.21695 ◽

2010 ◽

Vol 32 (6) ◽

pp. 1135-1143 ◽

Cited By ~ 5

Author(s):

Steven Lettieri ◽

Artem B. Mamonov ◽

Daniel M. Zuckerman

Keyword(s):

Monte Carlo Simulation ◽

Monte Carlo ◽

Free Energy ◽

Interaction Space ◽

Free Energy Calculations ◽

Energy Calculations

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Monte Carlo Simulation of Electrodeposition of Copper: A Multistep Free Energy Calculation

The Journal of Physical Chemistry B ◽

10.1021/jp076191a ◽

2008 ◽

Vol 112 (13) ◽

pp. 4036-4047 ◽

Cited By ~ 4

Author(s):

S. Harinipriya ◽

Venkat R. Subramanian

Keyword(s):

Monte Carlo Simulation ◽

Monte Carlo ◽

Free Energy ◽

Free Energy Calculation ◽

Energy Calculation

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Experimental, Quantum Chemical and Monte Carlo Simulation Studies on the Corrosion Inhibition of Mild Steel by Three New Schiff Base Derivatives

Portugaliae Electrochimica Acta ◽

10.4152/pea.2021390501 ◽

2021 ◽

Vol 39 (5) ◽

pp. 293-321

Author(s):

A Nahle ◽

M El-Azzouzi ◽

A Aouniti ◽

F Abrigach ◽

A Djedouani ◽

...

Keyword(s):

Monte Carlo Simulation ◽

Monte Carlo ◽

Schiff Base ◽

Mild Steel ◽

Corrosion Inhibition ◽

Quantum Chemical ◽

Simulation Studies ◽

Schiff Base Derivatives

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Monte Carlo simulation studies of the catalytic combustion of methane

Catalysis Letters ◽

10.1007/s10562-006-0174-z ◽

2006 ◽

Vol 112 (1-2) ◽

pp. 121-128 ◽

Cited By ~ 10

Author(s):

Joaquín Cortés ◽

Eliana Valencia ◽

Paulo Araya

Keyword(s):

Monte Carlo Simulation ◽

Monte Carlo ◽

Catalytic Combustion ◽

Simulation Studies ◽

Catalytic Combustion Of Methane

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NMR and Monte Carlo Simulation Studies of Water Adsorption Dynamics

Journal of Colloid and Interface Science ◽

10.1006/jcis.2001.8177 ◽

2002 ◽

Vol 248 (2) ◽

pp. 255-259 ◽

Cited By ~ 2

Author(s):

S.K.K. Lam ◽

H. Peemoeller ◽

Z.Y. Chen

Keyword(s):

Monte Carlo Simulation ◽

Monte Carlo ◽

Water Adsorption ◽

Simulation Studies ◽

Adsorption Dynamics

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Feasibility of Photon-counting K-edge Imaging in X-ray and Computed Tomographic Systems: Monte Carlo Simulation Studies

Journal of the Korean Physical Society ◽

10.3938/jkps.59.2833 ◽

2011 ◽

Vol 59 (4) ◽

pp. 2833-2839 ◽

Cited By ~ 4

Author(s):

Seung-Wan Lee ◽

Yu-Na Choi ◽

Hyo-Min Cho ◽

Young-Jin Lee ◽

Hyun-Ju Ryu ◽

...

Keyword(s):

Monte Carlo Simulation ◽

Monte Carlo ◽

Photon Counting ◽

Simulation Studies ◽

X Ray ◽

Computed Tomographic

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