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Journal of Computational Chemistry
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July 2, 2013
Evaluation of electrostatic descriptors for predicting crystalline density
Betsy M Rice, Edward F C Byrd
The Journal of Physical Chemistry. A
|
January 20, 2006
Improved prediction of heats of formation of energetic materials using quantum mechanical calculations
Edward F C Byrd, Betsy M Rice
Physical Chemistry Chemical Physics : PCCP
|
June 25, 2009
Crystal structure prediction for cyclotrimethylene trinitramine (RDX) from first principles
Rafal Podeszwa, Betsy M Rice, Krzysztof Szalewicz
Physical Review Letters
|
October 15, 2008
Predicting structure of molecular crystals from first principles
Rafał Podeszwa, Betsy M Rice, Krzysztof Szalewicz
The Journal of Physical Chemistry. A
|
December 18, 2008
A comparison of methods to predict solid phase heats of formation of molecular energetic salts
Edward F C Byrd, Betsy M Rice
The Journal of Physical Chemistry. B
|
December 15, 2015
Theoretical Study of Shocked Formic Acid: Born-Oppenheimer MD Calculations of the Shock Hugoniot and Early-Stage Chemistry
Betsy M Rice, Edward F C Byrd
The Journal of Physical Chemistry. A
|
March 8, 2022
Correction to "Improved Prediction of Heats of Formation of Energetic Materials Using Quantum Mechanical Calculations"
Edward F C Byrd, Betsy M Rice
The Journal of Physical Chemistry. B
|
March 29, 2007
Molecular dynamics simulations of the melting mechanisms of perfect and imperfect crystals of dimethylnitramine
Lianqing Zheng, Betsy M Rice, Donald L Thompson
The Journal of Chemical Physics
|
August 17, 2010
The multiscale coarse-graining method: assessing its accuracy and introducing density dependent coarse-grain potentials
Sergei Izvekov, Peter W Chung, Betsy M Rice
The Journal of Chemical Physics
|
August 3, 2011
Particle-based multiscale coarse graining with density-dependent potentials: application to molecular crystals (hexahydro-1,3,5-trinitro-s-triazine)
Sergei Izvekov, Peter W Chung, Betsy M Rice
Page
of 4
Search research articles
Search
Showing results (11-20 of 39) with videos related to
Sort By:
Page
of 4
Journal of Computational Chemistry
|
July 2, 2013
Evaluation of electrostatic descriptors for predicting crystalline density
Betsy M Rice, Edward F C Byrd
The Journal of Physical Chemistry. A
|
January 20, 2006
Improved prediction of heats of formation of energetic materials using quantum mechanical calculations
Edward F C Byrd, Betsy M Rice
Physical Chemistry Chemical Physics : PCCP
|
June 25, 2009
Crystal structure prediction for cyclotrimethylene trinitramine (RDX) from first principles
Rafal Podeszwa, Betsy M Rice, Krzysztof Szalewicz
Physical Review Letters
|
October 15, 2008
Predicting structure of molecular crystals from first principles
Rafał Podeszwa, Betsy M Rice, Krzysztof Szalewicz
The Journal of Physical Chemistry. A
|
December 18, 2008
A comparison of methods to predict solid phase heats of formation of molecular energetic salts
Edward F C Byrd, Betsy M Rice
The Journal of Physical Chemistry. B
|
December 15, 2015
Theoretical Study of Shocked Formic Acid: Born-Oppenheimer MD Calculations of the Shock Hugoniot and Early-Stage Chemistry
Betsy M Rice, Edward F C Byrd
The Journal of Physical Chemistry. A
|
March 8, 2022
Correction to "Improved Prediction of Heats of Formation of Energetic Materials Using Quantum Mechanical Calculations"
Edward F C Byrd, Betsy M Rice
The Journal of Physical Chemistry. B
|
March 29, 2007
Molecular dynamics simulations of the melting mechanisms of perfect and imperfect crystals of dimethylnitramine
Lianqing Zheng, Betsy M Rice, Donald L Thompson
The Journal of Chemical Physics
|
August 17, 2010
The multiscale coarse-graining method: assessing its accuracy and introducing density dependent coarse-grain potentials
Sergei Izvekov, Peter W Chung, Betsy M Rice
The Journal of Chemical Physics
|
August 3, 2011
Particle-based multiscale coarse graining with density-dependent potentials: application to molecular crystals (hexahydro-1,3,5-trinitro-s-triazine)
Sergei Izvekov, Peter W Chung, Betsy M Rice
Page
of 4