Rotational dynamics of a solvated dipole: A molecular dynamics study of dielectric friction

The Journal of Chemical Physics ◽

10.1063/1.452356 ◽

1987 ◽

Vol 86 (12) ◽

pp. 7079-7083 ◽

Author(s):

Albert J. Cross ◽

John D. Simon

Keyword(s):

Molecular Dynamics ◽

Rotational Dynamics ◽

Dielectric Friction

Download Full-text

Rotational dynamics and velocity segregation in plastic KCIO4: a molecular dynamics simulation

Molecular Physics ◽

10.1080/00268979809482256 ◽

1998 ◽

Vol 93 (5) ◽

pp. 703-711

Author(s):

F. AFFOUARD ◽

PH. DEPONDT

Keyword(s):

Molecular Dynamics ◽

Molecular Dynamics Simulation ◽

Rotational Dynamics ◽

Dynamics Simulation

Download Full-text

Solvation shell dynamics of supercritical water–cyclohexane mixtures in relation to the translational and rotational dynamics as studied by molecular dynamics simulation

AIP Advances ◽

10.1063/5.0057093 ◽

2021 ◽

Vol 11 (7) ◽

pp. 075219

Author(s):

Ken Yoshida ◽

Haruka Yoshioka

Keyword(s):

Molecular Dynamics ◽

Molecular Dynamics Simulation ◽

Supercritical Water ◽

Solvation Shell ◽

Rotational Dynamics ◽

Dynamics Simulation ◽

Download Full-text

Rotational dynamics and velocity segregation in plastic KClO4 : a molecular dynamics simulation

Molecular Physics ◽

10.1080/002689798168727 ◽

1998 ◽

Vol 93 (5) ◽

pp. 703-711

Author(s):

F. AFFOUARD ◽

PH. DEPONDT

Keyword(s):

Molecular Dynamics ◽

Molecular Dynamics Simulation ◽

Rotational Dynamics ◽

Dynamics Simulation

Download Full-text

Probing relaxation models by means of Fast Field-Cycling relaxometry, NMR spectroscopy and molecular dynamics simulations: Detailed insight into the translational and rotational dynamics of a protic ionic liquid

Journal of Molecular Liquids ◽

10.1016/j.molliq.2020.114207 ◽

2020 ◽

Vol 319 ◽

pp. 114207

Author(s):

Viviane Overbeck ◽

Benjamin Golub ◽

Henning Schröder ◽

Andreas Appelhagen ◽

Dietmar Paschek ◽

...

Keyword(s):

Molecular Dynamics ◽

Ionic Liquid ◽

Nmr Spectroscopy ◽

Rotational Dynamics ◽

Protic Ionic Liquid ◽

Field Cycling ◽

Dynamics Simulations ◽

Insight Into ◽

Relaxation Models

Download Full-text

An ab initio molecular dynamics study of supercritical aqueous ionic solutions: Hydrogen bonding, rotational dynamics and vibrational spectral diffusion

Chemical Physics ◽

10.1016/j.chemphys.2011.06.031 ◽

2011 ◽

Vol 387 (1-3) ◽

pp. 48-55 ◽

Author(s):

Bhabani S. Mallik ◽

Amalendu Chandra

Keyword(s):

Molecular Dynamics ◽

Hydrogen Bonding ◽

Ab Initio ◽

Spectral Diffusion ◽

Rotational Dynamics ◽

Ab Initio Molecular Dynamics ◽

Ionic Solutions ◽

Aqueous Ionic Solutions

Download Full-text

ChemInform Abstract: Spectroscopy and Rotational Dynamics of Oxazine 725 in Alcohols: A Test of Dielectric Friction Theories

10.1002/chin.199027070 ◽

1990 ◽

Vol 21 (27) ◽

Author(s):

J. D. SIMON ◽

P. A. THOMPSON

Keyword(s):

Rotational Dynamics ◽

Dielectric Friction

Download Full-text

Molecular Rotational Dynamics in Mixed CH4–CO2 Hydrates: Insights from Molecular Dynamics Simulations

The Journal of Physical Chemistry C ◽

10.1021/acs.jpcc.9b06242 ◽

2019 ◽

Vol 123 (43) ◽

pp. 26251-26262

Author(s):

Bernadette R. Cladek ◽

S. Michelle Everett ◽

Marshall T. McDonnell ◽

Matthew G. Tucker ◽

David J. Keffer ◽

...

Keyword(s):

Molecular Dynamics ◽

Molecular Dynamics Simulations ◽

Rotational Dynamics ◽

Dynamics Simulations

Download Full-text

Infrared and molecular-dynamics studies of the rotational dynamics of water highly diluted in supercritical CO2

The Journal of Chemical Physics ◽

10.1063/1.1953561 ◽

2005 ◽

Vol 123 (7) ◽

pp. 074505 ◽

Author(s):

Y. Danten ◽

T. Tassaing ◽

M. Besnard

Keyword(s):

Molecular Dynamics ◽

Supercritical Co2 ◽

Rotational Dynamics

Download Full-text

Rotational dynamics of nondipolar probes in associative solvents: Modeling of hydrogen bonding interactions using the extended charge distribution theory of dielectric friction

The Journal of Chemical Physics ◽

10.1063/1.1540092 ◽

2003 ◽

Vol 118 (9) ◽

pp. 4127-4133 ◽

Author(s):

G. B. Dutt ◽

T. K. Ghanty

Keyword(s):

Hydrogen Bonding ◽

Charge Distribution ◽

Distribution Theory ◽

Rotational Dynamics ◽

Dielectric Friction ◽

Hydrogen Bonding Interactions ◽

Extended Charge

Download Full-text

Rotational dynamics of benzene and water in an ionic liquid explored via molecular dynamics simulations and NMR T1 measurements

The Journal of Chemical Physics ◽

10.1063/1.3685100 ◽

2012 ◽

Vol 136 (7) ◽

pp. 074508 ◽

Author(s):

Yoshiro Yasaka ◽

Michael L. Klein ◽

Masaru Nakahara ◽

Nobuyuki Matubayasi

Keyword(s):

Molecular Dynamics ◽

Ionic Liquid ◽

Molecular Dynamics Simulations ◽

Rotational Dynamics ◽

Dynamics Simulations

Download Full-text