Experimental and Molecular Dynamics Simulation Study of the Sublimation and Vaporization Energetics of Iron Metalocenes. Crystal Structures of Fe(η5-C5H4CH3)2and Fe[(η5-(C5H5)(η5-C5H4CHO)]

Cláudio M. Lousada; Susana S. Pinto; José N. Canongia Lopes; M. Fátima Minas da Piedade; Hermínio P. Diogo; Manuel E. Minas da Piedade

doi:10.1021/jp7107818

Experimental and Molecular Dynamics Simulation Study of the Sublimation and Vaporization Energetics of Iron Metalocenes. Crystal Structures of Fe(η5-C5H4CH3)2and Fe[(η5-(C5H5)(η5-C5H4CHO)]

The Journal of Physical Chemistry A ◽

10.1021/jp7107818 ◽

2008 ◽

Vol 112 (13) ◽

pp. 2977-2987 ◽

Cited By ~ 31

Author(s):

Cláudio M. Lousada ◽

Susana S. Pinto ◽

José N. Canongia Lopes ◽

M. Fátima Minas da Piedade ◽

Hermínio P. Diogo ◽

...

Keyword(s):

Molecular Dynamics ◽

Molecular Dynamics Simulation ◽

Crystal Structures ◽

Simulation Study ◽

Dynamics Simulation

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Keyword(s):

Molecular Dynamics ◽

Molecular Dynamics Simulation ◽

Simulation Study ◽

Dynamics Simulation

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Author(s):

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Keyword(s):

Molecular Dynamics ◽

Molecular Dynamics Simulation ◽

Tyrosine Kinase ◽

Simulation Study ◽

Structural Features ◽

Dynamics Simulation

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10.1016/j.cplett.2005.05.035 ◽

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Keyword(s):

Molecular Dynamics ◽

Molecular Dynamics Simulation ◽

Ab Initio ◽

Path Integral ◽

Simulation Study ◽

Dynamics Simulation ◽

Dihydrogen Bond

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Physical Review E ◽

10.1103/physreve.70.011804 ◽

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Keyword(s):

Molecular Dynamics ◽

Molecular Dynamics Simulation ◽

Simulation Study ◽

Pressure Dependence ◽

Structure Factor ◽

Dynamics Simulation

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Keyword(s):

Molecular Dynamics ◽

Molecular Dynamics Simulation ◽

Simulation Study ◽

Dynamics Simulation ◽

Endothelial Glycocalyx ◽

Complex Structures

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10.1016/j.molliq.2021.116622 ◽

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Author(s):

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Keyword(s):

Molecular Dynamics ◽

Molecular Dynamics Simulation ◽

Electric Field ◽

Simulation Study ◽

Strong Electric Field ◽

Dynamics Simulation

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Molecular Dynamics ◽

Pseudomonas Aeruginosa ◽

Molecular Dynamics Simulation ◽

Simulation Study ◽

Dynamics Simulation ◽

Iron Coordination

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Keyword(s):

Molecular Dynamics ◽

Parathyroid Hormone ◽

Molecular Dynamics Simulation ◽

Simulation Study ◽

Dynamics Simulation

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...

Keyword(s):

Molecular Dynamics ◽

Molecular Dynamics Simulation ◽

Simulation Study ◽

Dynamics Simulation ◽

Interaction Sites ◽

Rigid Chain ◽

Bonding Interaction

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Keyword(s):

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Molecular Dynamics Simulation ◽

Simulation Study ◽

Dynamics Simulation

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