Structural Changes in Nanoporous MFI Zeolites Induced by Tetrachloroethene Adsorption: A Joint Experimental and Simulation Study

Marie Jeffroy; Guy Weber; Sarah Hostachy; Jean-Pierre Bellat; Alain H. Fuchs; Anne Boutin

doi:10.1021/jp109447n

Structural Changes in Nanoporous MFI Zeolites Induced by Tetrachloroethene Adsorption: A Joint Experimental and Simulation Study

The Journal of Physical Chemistry C ◽

10.1021/jp109447n ◽

2011 ◽

Vol 115 (10) ◽

pp. 3854-3865 ◽

Cited By ~ 9

Author(s):

Marie Jeffroy ◽

Guy Weber ◽

Sarah Hostachy ◽

Jean-Pierre Bellat ◽

Alain H. Fuchs ◽

...

Keyword(s):

Simulation Study ◽

Structural Changes ◽

Mfi Zeolites

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On the Molecular Mechanism of Drug Intercalation into DNA: A Simulation Study of the Intercalation Pathway, Free Energy, and DNA Structural Changes

Journal of the American Chemical Society ◽

10.1021/ja8001666 ◽

2008 ◽

Vol 130 (30) ◽

pp. 9747-9755 ◽

Cited By ~ 131

Author(s):

Arnab Mukherjee ◽

Richard Lavery ◽

Biman Bagchi ◽

James T. Hynes

Keyword(s):

Free Energy ◽

Molecular Mechanism ◽

Simulation Study ◽

Structural Changes

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Shear-induced structural changes of a smectic-Aphase: A computer simulation study

Physical Review E ◽

10.1103/physreve.65.041717 ◽

2002 ◽

Vol 65 (4) ◽

Cited By ~ 2

Author(s):

G. R. Luckhurst ◽

G. Saielli ◽

T. J. Sluckin

Keyword(s):

Computer Simulation ◽

Simulation Study ◽

Structural Changes ◽

Computer Simulation Study

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Atomic-scale simulation study of structural changes of Fe-Cu binary system containing Cu clusters embedded in the Fe matrix during heating

Acta Physica Sinica ◽

10.7498/aps.66.086301 ◽

2017 ◽

Vol 66 (8) ◽

pp. 086301

Author(s):

Zheng Zhi-Xiu ◽

Zhang Lin

Keyword(s):

Binary System ◽

Simulation Study ◽

Structural Changes ◽

Atomic Scale

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Computer simulation study of pressure-induced structural changes in YBa2Cu4O8

Physica C Superconductivity ◽

10.1016/0921-4534(92)90891-f ◽

1992 ◽

Vol 193 (1-2) ◽

pp. 221-233 ◽

Cited By ~ 21

Author(s):

X. Zhang ◽

C.R.A. Catlow

Keyword(s):

Computer Simulation ◽

Simulation Study ◽

Structural Changes ◽

Computer Simulation Study

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Investigation of the structural changes on Zn doping in the apatite-type oxide ion conductor La9.33Si6O26: A combined neutron diffraction and atomistic simulation study

Solid State Ionics ◽

10.1016/j.ssi.2006.10.013 ◽

2007 ◽

Vol 177 (39-40) ◽

pp. 3411-3416 ◽

Cited By ~ 20

Author(s):

E KENDRICK ◽

M ISLAM ◽

P SLATER

Keyword(s):

Neutron Diffraction ◽

Simulation Study ◽

Atomistic Simulation ◽

Structural Changes ◽

Zn Doping ◽

Ion Conductor ◽

Oxide Ion Conductor ◽

Oxide Ion ◽

Apatite Type

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Understanding the structural changes that take place in a polypyrrole film during its oxi-reduction process: a molecular dynamics simulation study

10.1117/12.607924 ◽

2005 ◽

Author(s):

J. J. Lopez Cascales ◽

T. F. Otero

Keyword(s):

Molecular Dynamics ◽

Molecular Dynamics Simulation ◽

Simulation Study ◽

Structural Changes ◽

Reduction Process ◽

Dynamics Simulation ◽

Polypyrrole Film

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Temperature-induced structural changes of apo-lactoferrin and their functional implications: a molecular dynamics simulation study

Molecular Simulation ◽

10.1080/08927022.2018.1562187 ◽

2018 ◽

Vol 45 (7) ◽

pp. 533-548 ◽

Cited By ~ 1

Author(s):

Carol Nhan ◽

Colin J. Rix ◽

Bee K. May ◽

Andrew Hung

Keyword(s):

Molecular Dynamics ◽

Molecular Dynamics Simulation ◽

Simulation Study ◽

Structural Changes ◽

Dynamics Simulation ◽

Functional Implications

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pH-induced structural changes of apo-lactoferrin and implications for its function: a molecular dynamics simulation study

Molecular Simulation ◽

10.1080/08927022.2018.1535178 ◽

2018 ◽

Vol 45 (2) ◽

pp. 87-103 ◽

Cited By ~ 1

Author(s):

Carol Nhan ◽

Darryl M. Small ◽

Bee K. May ◽

Andrew Hung

Keyword(s):

Molecular Dynamics ◽

Molecular Dynamics Simulation ◽

Simulation Study ◽

Structural Changes ◽

Dynamics Simulation

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Simulation study of pressure-induced structural changes in La2CuO4 and in La1.83Sr0.17CuO4

Journal of Physics and Chemistry of Solids ◽

10.1016/0022-3697(92)90186-h ◽

1992 ◽

Vol 53 (6) ◽

pp. 761-770 ◽

Cited By ~ 21

Author(s):

X. Zhang ◽

C.R.A. Catlow ◽

S.C. Parker ◽

A. Wall

Keyword(s):

Simulation Study ◽

Structural Changes

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Simulation Study of Structural Changes in Zeolite RHO

The Journal of Physical Chemistry C ◽

10.1021/jp4026283 ◽

2013 ◽

Vol 117 (22) ◽

pp. 11592-11599 ◽

Cited By ~ 16

Author(s):

S. R. G. Balestra ◽

J. J. Gutiérrez-Sevillano ◽

P. J. Merkling ◽

D. Dubbeldam ◽

S. Calero

Keyword(s):

Simulation Study ◽

Structural Changes ◽

Zeolite Rho

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