Molecular Dynamics Study of Homogeneous Nucleation in Supercooled Clusters of tert-Butyl Chloride. Transition from Tetragonal to Monoclinic Phase

Lawrence S. Bartell; Jian Chen

doi:10.1021/j100033a012

Molecular Dynamics Study of Homogeneous Nucleation in Supercooled Clusters of tert-Butyl Chloride. Transition from Tetragonal to Monoclinic Phase

The Journal of Physical Chemistry ◽

10.1021/j100033a012 ◽

1995 ◽

Vol 99 (33) ◽

pp. 12444-12449 ◽

Cited By ~ 6

Author(s):

Lawrence S. Bartell ◽

Jian Chen

Keyword(s):

Molecular Dynamics ◽

Homogeneous Nucleation ◽

Monoclinic Phase ◽

Butyl Chloride ◽

Tert Butyl ◽

Tert Butyl Chloride

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Molecular Dynamics of Tert-butyl Chloride Confined to CPG (7.4, 15.6 nm)

Acta Physica Polonica A ◽

10.12693/aphyspola.108.357 ◽

2005 ◽

Vol 108 (2) ◽

pp. 357-370

Author(s):

L. Szutkowska ◽

B. Peplińska ◽

S. Jurga

Keyword(s):

Molecular Dynamics ◽

Butyl Chloride ◽

Tert Butyl ◽

Tert Butyl Chloride

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Molecular Motions in Plastically Crystalline Clusters of Tetragonal tert-Butyl Chloride. A Molecular Dynamics Study

The Journal of Physical Chemistry ◽

10.1021/j100012a009 ◽

1995 ◽

Vol 99 (12) ◽

pp. 3918-3923 ◽

Cited By ~ 3

Author(s):

Jian Chen ◽

Lawrence S. Bartell

Keyword(s):

Molecular Dynamics ◽

Molecular Motions ◽

Butyl Chloride ◽

Tert Butyl ◽

Tert Butyl Chloride

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Molecular dynamics studies of solid-state phase transitions. 1. Inference of low-temperature phase of tert-butyl chloride

The Journal of Physical Chemistry ◽

10.1021/j100143a020 ◽

1993 ◽

Vol 97 (41) ◽

pp. 10645-10648 ◽

Cited By ~ 12

Author(s):

Jian Chen ◽

Lawrence S. Bartell

Keyword(s):

Molecular Dynamics ◽

Phase Transitions ◽

Solid State ◽

Low Temperature ◽

Temperature Phase ◽

Butyl Chloride ◽

Tert Butyl ◽

Low Temperature Phase ◽

Tert Butyl Chloride

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Molecular dynamics of tert-butyl chloride confined in CPG studied by NMR

Solid State Nuclear Magnetic Resonance ◽

10.1016/j.ssnmr.2003.03.028 ◽

2004 ◽

Vol 25 (1-3) ◽

pp. 177-184 ◽

Cited By ~ 1

Author(s):

Lidia Wasyluk ◽

Barbara Peplińska ◽

Stefan Jurga

Keyword(s):

Molecular Dynamics ◽

Butyl Chloride ◽

Tert Butyl ◽

Tert Butyl Chloride

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Molecular dynamics and solid–solid phase transformation kinetics studies of tert-butyl chloride confined in mesoporous silica by NQR

Catalysis Today ◽

10.1016/j.cattod.2005.07.005 ◽

2005 ◽

Vol 107-108 ◽

pp. 741-749 ◽

Cited By ~ 1

Author(s):

Griselda A. Eimer ◽

Julio D. Fernández ◽

Aldo H. Brunetti

Keyword(s):

Molecular Dynamics ◽

Phase Transformation ◽

Mesoporous Silica ◽

Solid Phase ◽

Transformation Kinetics ◽

Butyl Chloride ◽

Tert Butyl ◽

Kinetics Studies ◽

Solid Phase Transformation ◽

Tert Butyl Chloride

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NMR studies of the molecular dynamics of tert-butyl chloride confined in the mesoporous molecular sieve MCM-41

Physical Chemistry Chemical Physics ◽

10.1039/b200634k ◽

2002 ◽

Vol 4 (11) ◽

pp. 2392-2397 ◽

Cited By ~ 11

Author(s):

Lidia Wasyluk ◽

Barbara Peplinska ◽

Jacek Klinowski ◽

Stefan Jurga

Keyword(s):

Molecular Dynamics ◽

Molecular Sieve ◽

Mesoporous Molecular Sieve ◽

Butyl Chloride ◽

Nmr Studies ◽

Tert Butyl ◽

Tert Butyl Chloride ◽

Mcm 41

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SN1 reaction mechanisms of tert-butyl chloride in aqueous solution: What can be learned from reaction path search calculations and trajectory calculations for small hydrated clusters?

Computational and Theoretical Chemistry ◽

10.1016/j.comptc.2021.113278 ◽

2021 ◽

pp. 113278

Author(s):

Takuma Otomo ◽

Haruya Suzuki ◽

Ryusei Iida ◽

Toshiyuki Takayanagi

Keyword(s):

Aqueous Solution ◽

Reaction Mechanisms ◽

Reaction Path ◽

Butyl Chloride ◽

Tert Butyl ◽

Trajectory Calculations ◽

Path Search ◽

Tert Butyl Chloride ◽

Hydrated Clusters

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Core and Surface Properties of Bcc. Clusters of SeF6 and Dynamics of Homogeneous Nucleation to Monoclinic Phase. A Molecular Dynamics Study

The Journal of Physical Chemistry ◽

10.1021/j100026a005 ◽

1995 ◽

Vol 99 (26) ◽

pp. 10446-10453 ◽

Cited By ~ 12

Author(s):

Lawrence S. Bartell ◽

Shimin Xu

Keyword(s):

Molecular Dynamics ◽

Surface Properties ◽

Homogeneous Nucleation ◽

Monoclinic Phase

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Orientational dependence of the translational energy transfer in the scattering of oriented fluoroform and tert‐butyl chloride molecules by a graphite(0001) surface

The Journal of Chemical Physics ◽

10.1063/1.459416 ◽

1990 ◽

Vol 93 (10) ◽

pp. 7416-7426 ◽

Cited By ~ 12

Author(s):

Stanislav I. Ionov ◽

Michael E. LaVilla ◽

Richard B. Bernstein

Keyword(s):

Energy Transfer ◽

Translational Energy ◽

Butyl Chloride ◽

Tert Butyl ◽

Tert Butyl Chloride

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Surface temperature dependence of the steric effect in the scattering of oriented tert‐butyl chloride and fluoroform molecules by graphite(0001)

The Journal of Chemical Physics ◽

10.1063/1.459415 ◽

1990 ◽

Vol 93 (10) ◽

pp. 7406-7415 ◽

Cited By ~ 19

Author(s):

Stanislav I. Ionov ◽

Michael E. LaVilla ◽

R. Scott Mackay ◽

Richard B. Bernstein

Keyword(s):

Surface Temperature ◽

Temperature Dependence ◽

Steric Effect ◽

Butyl Chloride ◽

Tert Butyl ◽

Tert Butyl Chloride

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