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Journal Articles

General application of Tolman’s concept of activation energy

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Homayoon Rafatijo, Donald L. Thompson
Journal: The Journal of Chemical Physics
J. Chem. Phys. 147, 224111 (2017)
https://doi.org/10.1063/1.5009751
Published: December 2017
View articletitled, General application of Tolman’s concept of activation energy
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Journal Articles

Anisotropy in surface-initiated melting of the triclinic molecular crystal 1,3,5-triamino-2,4,6-trinitrobenzene: A molecular dynamics study

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N. Mathew, Thomas D. Sewell, Donald L. Thompson
Journal: The Journal of Chemical Physics
J. Chem. Phys. 143, 094706 (2015)
https://doi.org/10.1063/1.4929806
Published: September 2015
View articletitled, Anisotropy in surface-initiated melting of the triclinic molecular crystal 1,3,5-triamino-2,4,6-trinitrobenzene: A molecular dynamics study
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Includes: Supplementary data
Journal Articles

Pressure effects on the relaxation of an excited nitromethane molecule in an argon bath

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Luis A. Rivera-Rivera, Albert F. Wagner, Thomas D. Sewell, Donald L. Thompson
Journal: The Journal of Chemical Physics
J. Chem. Phys. 142, 014303 (2015)
https://doi.org/10.1063/1.4904314
Published: January 2015
View articletitled, Pressure effects on the relaxation of an excited nitromethane molecule in an argon bath
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Journal Articles

Effects of copper nanoparticle inclusions on pressure-induced fluid-polynanocrystalline structural transitions in krypton

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Zhen Chen, Shan Jiang, Thomas D. Sewell, Yong Gan, Suleiman Y. Oloriegbe, Donald L. Thompson
Journal: Journal of Applied Physics
J. Appl. Phys. 116, 233506 (2014)
https://doi.org/10.1063/1.4904441
Published: December 2014
View articletitled, Effects of copper nanoparticle inclusions on pressure-induced fluid-polynanocrystalline structural transitions in krypton
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Includes: Supplementary data
Journal Articles

Thermal decomposition of 1,3,3-trinitroazetidine (TNAZ): A density functional theory and ab initio study

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Jeffrey D. Veals, Donald L. Thompson
Journal: The Journal of Chemical Physics
J. Chem. Phys. 140, 154306 (2014)
https://doi.org/10.1063/1.4870652
Published: April 2014
View articletitled, Thermal decomposition of 1,3,3-trinitroazetidine (TNAZ): A density functional theory and ab initio study
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Journal Articles

Calculation of anharmonic couplings and THz linewidths in crystalline PETN

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Andrey Pereverzev, Thomas D. Sewell, Donald L. Thompson
Journal: The Journal of Chemical Physics
J. Chem. Phys. 140, 104508 (2014)
https://doi.org/10.1063/1.4866896
Published: March 2014
View articletitled, Calculation of anharmonic couplings and THz linewidths in crystalline PETN
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Journal Articles

Molecular dynamics simulations of shock waves in hydroxyl-terminated polybutadiene melts: Mechanical and structural responses

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Markus G. Fröhlich, Thomas D. Sewell, Donald L. Thompson
Journal: The Journal of Chemical Physics
J. Chem. Phys. 140, 024902 (2014)
https://doi.org/10.1063/1.4853695
Published: January 2014
View articletitled, Molecular dynamics simulations of shock waves in hydroxyl-terminated polybutadiene melts: Mechanical and structural responses
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Includes: Supplementary data
Journal Articles

Molecular dynamics simulations of shock waves in cis-1,4-polybutadiene melts

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Lan He, Thomas D. Sewell, Donald L. Thompson
Journal: Journal of Applied Physics
J. Appl. Phys. 114, 163517 (2013)
https://doi.org/10.1063/1.4824546
Published: October 2013
View articletitled, Molecular dynamics simulations of shock waves in cis-1,4-polybutadiene melts
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Includes: Supplementary data
Journal Articles

Publisher's Note: “A classical trajectory study of the intramolecular dynamics, isomerization, and unimolecular dissociation of HO2” [J. Chem. Phys. 139, 084319 (2013)]

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Jamin W. Perry, Richard Dawes, Albert F. Wagner, Donald L. Thompson
Journal: The Journal of Chemical Physics
J. Chem. Phys. 139, 159903 (2013)
https://doi.org/10.1063/1.4826557
Published: October 2013
View articletitled, Publisher's Note: “A classical trajectory study of the intramolecular dynamics, isomerization, and unimolecular dissociation of HO2” [J. Chem. Phys. 139, 084319 (2013)]
Open the PDF for Publisher's Note: “A classical trajectory study of the intramolecular dynamics, isomerization, and unimolecular dissociation of HO2” [J. Chem. Phys. 139, 084319 (2013)] in another window
Journal Articles

A classical trajectory study of the intramolecular dynamics, isomerization, and unimolecular dissociation of HO2

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Jamin W. Perry, Richard Dawes, Albert F. Wagner, Donald L. Thompson
Journal: The Journal of Chemical Physics
J. Chem. Phys. 139, 084319 (2013)
https://doi.org/10.1063/1.4818879
Published: August 2013
View articletitled, A classical trajectory study of the intramolecular dynamics, isomerization, and unimolecular dissociation of HO2
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Includes: Supplementary data
Journal Articles

Molecular dynamics study of the pressure-dependent terahertz infrared absorption spectrum of α- and γ-RDX

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Andrey Pereverzev, Thomas D. Sewell, Donald L. Thompson
Journal: The Journal of Chemical Physics
J. Chem. Phys. 139, 044108 (2013)
https://doi.org/10.1063/1.4813795
Published: July 2013
View articletitled, Molecular dynamics study of the pressure-dependent terahertz infrared absorption spectrum of α- and γ-RDX
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Includes: Supplementary data
Journal Articles

Post-shock relaxation in crystalline nitromethane

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Luis A. Rivera-Rivera, Thomas D. Sewell, Donald L. Thompson
Journal: The Journal of Chemical Physics
J. Chem. Phys. 138, 084512 (2013)
https://doi.org/10.1063/1.4792438
Published: February 2013
View articletitled, Post-shock relaxation in crystalline nitromethane
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Journal Articles

Size effects on the impact response of copper nanobeams

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Zhen Chen, Shan Jiang, Yong Gan, Y. S. Oloriegbe, Thomas D. Sewell, Donald L. Thompson
Journal: Journal of Applied Physics
J. Appl. Phys. 111, 113512 (2012)
https://doi.org/10.1063/1.4723834
Published: June 2012
View articletitled, Size effects on the impact response of copper nanobeams
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Journal Articles

Molecular dynamics simulations of shock waves in oriented nitromethane single crystals: Plane-specific effects

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Lan He, Thomas D. Sewell, Donald L. Thompson
Journal: The Journal of Chemical Physics
J. Chem. Phys. 136, 034501 (2012)
https://doi.org/10.1063/1.3676727
Published: January 2012
View articletitled, Molecular dynamics simulations of shock waves in oriented nitromethane single crystals: Plane-specific effects
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Includes: Supplementary data
Journal Articles

Molecular dynamics simulations of shock waves in oriented nitromethane single crystals

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Lan He, Thomas D. Sewell, Donald L. Thompson
Journal: The Journal of Chemical Physics
J. Chem. Phys. 134, 124506 (2011)
https://doi.org/10.1063/1.3561397
Published: March 2011
View articletitled, Molecular dynamics simulations of shock waves in oriented nitromethane single crystals
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Journal Articles

Molecular dynamics study of the crystallization of nitromethane from the melt

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Ali Siavosh-Haghighi, Thomas D. Sewell, Donald L. Thompson
Journal: The Journal of Chemical Physics
J. Chem. Phys. 133, 194501 (2010)
https://doi.org/10.1063/1.3504610
Published: November 2010
View articletitled, Molecular dynamics study of the crystallization of nitromethane from the melt
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Includes: Supplementary data
Journal Articles

Shock-induced melting of (100)-oriented nitromethane: Energy partitioning and vibrational mode heating

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Richard Dawes, Ali Siavosh-Haghighi, Thomas D. Sewell, Donald L. Thompson
Journal: The Journal of Chemical Physics
J. Chem. Phys. 131, 224513 (2009)
https://doi.org/10.1063/1.3271349
Published: December 2009
View articletitled, Shock-induced melting of (100)-oriented nitromethane: Energy partitioning and vibrational mode heating
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Journal Articles

Shock-induced melting of (100)-oriented nitromethane: Structural relaxation

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Ali Siavosh-Haghighi, Richard Dawes, Thomas D. Sewell, Donald L. Thompson
Journal: The Journal of Chemical Physics
J. Chem. Phys. 131, 064503 (2009)
https://doi.org/10.1063/1.3202441
Published: August 2009
View articletitled, Shock-induced melting of (100)-oriented nitromethane: Structural relaxation
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Journal Articles

Interpolating moving least-squares methods for fitting potential energy surfaces: Using classical trajectories to explore configuration space

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Richard Dawes, Alessio Passalacqua, Albert F. Wagner, Thomas D. Sewell, Michael Minkoff, Donald L. Thompson
Journal: The Journal of Chemical Physics
J. Chem. Phys. 130, 144107 (2009)
https://doi.org/10.1063/1.3111261
Published: April 2009
View articletitled, Interpolating moving least-squares methods for fitting potential energy surfaces: Using classical trajectories to explore configuration space
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Journal Articles

Interpolating moving least-squares methods for fitting potential energy surfaces: A strategy for efficient automatic data point placement in high dimensions

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Richard Dawes, Donald L. Thompson, Albert F. Wagner, Michael Minkoff
Journal: The Journal of Chemical Physics
J. Chem. Phys. 128, 084107 (2008)
https://doi.org/10.1063/1.2831790
Published: February 2008
View articletitled, Interpolating moving least-squares methods for fitting potential energy surfaces: A strategy for efficient automatic data point placement in high dimensions
Open the PDF for Interpolating moving least-squares methods for fitting potential energy surfaces: A strategy for efficient automatic data point placement in high dimensions in another window