Dynamics of Benzene Guest Inside a Self-Assembled Cylindrical Capsule:  A Combined Solid-State2H NMR and Molecular Dynamics Simulation Study

Alexandra R. Albunia; Carmine Gaeta; Placido Neri; Alfonso Grassi; Giuseppe Milano

doi:10.1021/jp0617423

Dynamics of Benzene Guest Inside a Self-Assembled Cylindrical Capsule: A Combined Solid-State2H NMR and Molecular Dynamics Simulation Study

The Journal of Physical Chemistry B ◽

10.1021/jp0617423 ◽

2006 ◽

Vol 110 (39) ◽

pp. 19207-19214 ◽

Cited By ~ 10

Author(s):

Alexandra R. Albunia ◽

Carmine Gaeta ◽

Placido Neri ◽

Alfonso Grassi ◽

Giuseppe Milano

Keyword(s):

Molecular Dynamics ◽

Molecular Dynamics Simulation ◽

Simulation Study ◽

Dynamics Simulation ◽

Self Assembled

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Molecular Dynamics Simulation Study on a Monolayer of Half [2]Rotaxane Self-Assembled on Au(111)

Journal of the American Chemical Society ◽

10.1021/ja044762w ◽

2005 ◽

Vol 127 (13) ◽

pp. 4959-4964 ◽

Cited By ~ 34

Author(s):

Yun Hee Jang ◽

Seung Soon Jang ◽

William A. Goddard

Keyword(s):

Molecular Dynamics ◽

Molecular Dynamics Simulation ◽

Simulation Study ◽

Dynamics Simulation ◽

Self Assembled

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Nanometer-Wide Lines of Self-Assembled Monolayer: A Molecular Dynamics Simulation Study

The Journal of Physical Chemistry C ◽

10.1021/jp3099736 ◽

2012 ◽

Vol 116 (49) ◽

pp. 25928-25933 ◽

Cited By ~ 9

Author(s):

Joyanta K. Saha ◽

Hyojeong Kim ◽

Joonkyung Jang

Keyword(s):

Molecular Dynamics ◽

Molecular Dynamics Simulation ◽

Simulation Study ◽

Dynamics Simulation ◽

Self Assembled Monolayer ◽

Self Assembled

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Molecular dynamics simulation study of the nano-wear characteristics of alkanethiol self-assembled monolayers

Applied Physics A ◽

10.1007/s00339-004-3036-9 ◽

2005 ◽

Vol 81 (1) ◽

pp. 109-114 ◽

Cited By ~ 35

Author(s):

I.-H. Sung ◽

D.-E. Kim

Keyword(s):

Molecular Dynamics ◽

Molecular Dynamics Simulation ◽

Simulation Study ◽

Dynamics Simulation ◽

Self Assembled Monolayers ◽

Wear Characteristics ◽

Assembled Monolayers ◽

Self Assembled

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Molecular Dynamics Simulation Study of Self-Assembled Monolayers of Alkanethiol Surfactants on Spherical Gold Nanoparticles†

The Journal of Physical Chemistry C ◽

10.1021/jp0746289 ◽

2007 ◽

Vol 111 (43) ◽

pp. 15857-15862 ◽

Cited By ~ 145

Author(s):

Pradip Kr. Ghorai ◽

Sharon C. Glotzer

Keyword(s):

Molecular Dynamics ◽

Gold Nanoparticles ◽

Molecular Dynamics Simulation ◽

Simulation Study ◽

Dynamics Simulation ◽

Self Assembled Monolayers ◽

Assembled Monolayers ◽

Spherical Gold Nanoparticles ◽

Self Assembled

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Molecular dynamics simulation study of the response of polyurea to a shock

10.26226/morressier.5f5f8e69aa777f8ba5bd5f91 ◽

2020 ◽

Author(s):

Manva Manva

Keyword(s):

Molecular Dynamics ◽

Molecular Dynamics Simulation ◽

Simulation Study ◽

Dynamics Simulation

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Salient Structural Features of Human Lemur Tyrosine Kinase 3 (LMTK3) Domain from Molecular Dynamics Simulation Study

Current Biotechnology ◽

10.2174/2213529404666180125161856 ◽

2018 ◽

Vol 7 (4) ◽

pp. 309-316

Author(s):

Himakshi Sarma ◽

Venkata Satish Kumar Mattaparthi

Keyword(s):

Molecular Dynamics ◽

Molecular Dynamics Simulation ◽

Tyrosine Kinase ◽

Simulation Study ◽

Structural Features ◽

Dynamics Simulation

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Ab initio path integral molecular dynamics simulation study on the dihydrogen bond of NH4+⋯BeH2

Chemical Physics Letters ◽

10.1016/j.cplett.2005.05.035 ◽

2005 ◽

Vol 410 (1-3) ◽

pp. 54-58 ◽

Cited By ~ 12

Author(s):

Aiko Hayashi ◽

Motoyuki Shiga ◽

Masanori Tachikawa

Keyword(s):

Molecular Dynamics ◽

Molecular Dynamics Simulation ◽

Ab Initio ◽

Path Integral ◽

Simulation Study ◽

Dynamics Simulation ◽

Dihydrogen Bond

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Anomalous pressure dependence of the structure factor in 1,4-polybutadiene melts: A molecular dynamics simulation study

Physical Review E ◽

10.1103/physreve.70.011804 ◽

2004 ◽

Vol 70 (1) ◽

Cited By ~ 11

Author(s):

Dmitry Bedrov ◽

Grant D. Smith ◽

Wolfgang Paul

Keyword(s):

Molecular Dynamics ◽

Molecular Dynamics Simulation ◽

Simulation Study ◽

Pressure Dependence ◽

Structure Factor ◽

Dynamics Simulation

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Regimes of Flow over Complex Structures of Endothelial Glycocalyx: A Molecular Dynamics Simulation Study

Scientific Reports ◽

10.1038/s41598-018-24041-7 ◽

2018 ◽

Vol 8 (1) ◽

Cited By ~ 6

Author(s):

Xi Zhuo Jiang ◽

Muye Feng ◽

Yiannis Ventikos ◽

Kai H. Luo

Keyword(s):

Molecular Dynamics ◽

Molecular Dynamics Simulation ◽

Simulation Study ◽

Dynamics Simulation ◽

Endothelial Glycocalyx ◽

Complex Structures

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Molecular dynamics simulation study of the effect of a strong electric field on the structure of a poly(oxyethylene) chain in explicit solvents

Journal of Molecular Liquids ◽

10.1016/j.molliq.2021.116622 ◽

2021 ◽

pp. 116622

Author(s):

Šárka Dědičová ◽

Jan Dočkal ◽

Filip Moučka ◽

Jan Jirsák

Keyword(s):

Molecular Dynamics ◽

Molecular Dynamics Simulation ◽

Electric Field ◽

Simulation Study ◽

Strong Electric Field ◽

Dynamics Simulation

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