Rice, Betsy: search on Z-Library

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1

Improved Prediction of Heats of Formation of Energetic Materials Using Quantum Mechanical Calculations

Byrd, Edward F. C., Rice, Betsy M.

Journal:

Journal of Physical Chemistry A

Year:

2006

Language:

english

File:

PDF, 96 KB

english, 2006

2

Improved Prediction of Heats of Formation of Energetic Materials Using Quantum Mechanical Calculations

Byrd, Edward F. C., Rice, Betsy M.

Journal:

Journal of Physical Chemistry A

Year:

2009

Language:

english

File:

PDF, 26 KB

english, 2009

3

[IEEE 2010 DoD High Performance Computing Modernization Program Users Group Conference (HPCMP-UGC) - Schaumburg, IL, USA (2010.06.14-2010.06.17)] 2010 DoD High Performance Computing Modernization Program Users Group Conference - Dispersion Interactions in Calculations of Properties of Energetic Materials

Cencek, Wojciech, Rob, Fazle, Szalewicz, Krzysztof, Podeszwa, Rafal, Rice, Betsy M., Taylor, DeCarlos

Year:

2010

Language:

english

File:

PDF, 280 KB

english, 2010

4

A Comparison of Methods To Predict Solid Phase Heats of Formation of Molecular Energetic Salts

Byrd, Edward F. C., Rice, Betsy M.

Journal:

Journal of Physical Chemistry A

Year:

2009

Language:

english

File:

PDF, 235 KB

english, 2009

5

Non-equilibrium molecular dynamics simulation study of heat transport in hexahydro-1,3,5-trinitro-s-triazine (RDX)

Sergei Izvekov, Peter W. Chung, Betsy M. Rice

Journal:

International Journal of Heat and Mass Transfer

Year:

2011

Language:

english

File:

PDF, 1.29 MB

english, 2011

6

Predicting heats of formation of energetic materials using quantum mechanical calculations

Betsy M Rice, Sharmila V Pai, Jennifer Hare

Journal:

Combustion and Flame

Year:

1999

Language:

english

File:

PDF, 176 KB

english, 1999

7

Determination of the pressure dependent melting temperatures of Al and Ni using molecular dynamics

Weingarten, N. Scott, Mattson, William D., Rice, Betsy M.

Journal:

Journal of Applied Physics

Year:

2009

Language:

english

File:

PDF, 1.73 MB

english, 2009

8

[IEEE 2008 DoD HPCMP Users Group Conference - Seattle, WA, USA (2008.07.14-2008.07.17)] 2008 DoD HPCMP Users Group Conference - Direct Quantum Mechanical Simulations of Shocked Energetic Materials Supporting Future Force Insensitive Munitions (IM) Requirements

Mattson, William D., Balu, Radhakrishnan, Rice, Betsy M.

Year:

2008

Language:

english

File:

PDF, 886 KB

english, 2008

9

Assessing the Performances of Dispersion-Corrected Density Functional Methods for Predicting the Crystallographic Properties of High Nitrogen Energetic Salts

Sorescu, Dan C., Byrd, Edward F. C., Rice, Betsy M., Jordan, Kenneth D.

Journal:

Journal of Chemical Theory and Computation

Year:

2014

Language:

english

File:

PDF, 3.59 MB

english, 2014

10

Predicting Structure of Molecular Crystals from First Principles

Podeszwa, Rafał, Rice, Betsy M., Szalewicz, Krzysztof

Journal:

Physical Review Letters

Year:

2008

Language:

english

File:

PDF, 222 KB

english, 2008

11

Density functional calculations of bond dissociation energies for NO2 scission in some nitroaromatic molecules

Betsy M. Rice, Samir Sahu, Frank J. Owens

Journal:

Journal of Molecular Structure: THEOCHEM

Year:

2002

Language:

english

File:

PDF, 64 KB

english, 2002

12

Parameterizing Complex Reactive Force Fields Using Multiple Objective Evolutionary Strategies (MOES). Part 1: ReaxFF Models for Cyclotrimethylene Trinitramine (RDX) and 1,1-Diamino-2,2-dinitroethene (FOX-7)

Larentzos, James P., Rice, Betsy M., Byrd, Edward F. C., Weingarten, N. Scott, Lill, James V.

Journal:

Journal of Chemical Theory and Computation

Year:

2015

Language:

english

File:

PDF, 722 KB

english, 2015

13

Theoretical Chemical Characterization of Energetic Materials

Rice, Betsy Mavity, Byrd, Edward F. C.

Journal:

MRS Proceedings

Year:

2005

Language:

english

File:

PDF, 380 KB

english, 2005

14

Theoretical Predictions of Energetic Molecular Crystals at Ambient and Hydrostatic Compression Conditions Using Dispersion Corrections to Conventional Density Functionals (DFT-D)

Sorescu, Dan C., Rice, Betsy M.

Journal:

The Journal of Physical Chemistry C

Year:

2010

Language:

english

File:

PDF, 6.09 MB

english, 2010

15

[IEEE 2009 DoD High Performance Computing Modernization Program Users Group Conference (HPCMP-UGC) - San Diego, CA, USA (2009.06.15-2009.06.18)] 2009 DoD High Performance Computing Modernization Program Users Group Conference - Direct Quantum Mechanical Simulations of Shocked Energetic Materials Supporting Future Force Insensitive Munitions (IM) Requirements

Mattson, William D., Balu, Radhakrishnan, Rice, Betsy M.

Year:

2009

Language:

english

File:

PDF, 1.45 MB

english, 2009

16

Parameterizing Complex Reactive Force Fields Using Multiple Objective Evolutionary Strategies (MOES): Part 2: Transferability of ReaxFF Models to C–H–N–O Energetic Materials

Rice, Betsy M., Larentzos, James P., Byrd, Edward F. C., Weingarten, N. Scott

Journal:

Journal of Chemical Theory and Computation

Year:

2015

Language:

english

File:

PDF, 6.59 MB

english, 2015

17

Heuristics for chemical species identification in dense systems

Rice, Betsy M., Mattson, William D., Larentzos, James P., Byrd, Edward F. C.

Journal:

The Journal of Chemical Physics

Year:

2020

File:

PDF, 5.76 MB

2020

18

A Quantum Mechanical Investigation of the Relation between Impact Sensitivity and the Charge Distribution in Energetic Molecules

Rice, Betsy M., Hare, Jennifer J.

Journal:

Journal of Physical Chemistry A

Year:

2002

Language:

english

File:

PDF, 627 KB

english, 2002

19

[IEEE 2009 DoD High Performance Computing Modernization Program Users Group Conference (HPCMP-UGC) - San Diego, CA, USA (2009.06.15-2009.06.18)] 2009 DoD High Performance Computing Modernization Program Users Group Conference - Predictions of Properties of Energetic Materials from First Principles

Podeszwa, Rafal, Rice, Betsy M., Taylor, DeCarlos, Rob, Fazle, Szalewicz, Krzysztof

Year:

2009

Language:

english

File:

PDF, 261 KB

english, 2009

20

A comparative study of the reaction dynamics of a model system using different criteria in parameterizing the potential enegy function

Betsy M. Rice, Cary F. Chabalowski, George F. Adams, Richard C. Mowrey, Michael Page

Journal:

Chemical Physics Letters

Year:

1991

Language:

english

File:

PDF, 570 KB

english, 1991

21

Models for predicting solubilities of 2,4,6-trinitrotoluene (TNT) and 1,3,5-trinitro-1,3,5-s-triazine (RDX) in supercritical CO2: isothermal–isobaric Monte Carlo simulations

Paras M Agrawal, Betsy M Rice, Dan C Sorescu, Donald L Thompson

Journal:

Fluid Phase Equilibria

Year:

2001

Language:

english

File:

PDF, 126 KB

english, 2001

22

A Transferable Intermolecular Potential for Nitramine Crystals

Sorescu, Dan C., Rice, Betsy M., Thompson, Donald L.

Journal:

Journal of Physical Chemistry A

Year:

1998

Language:

english

File:

PDF, 183 KB

english, 1998

23

Molecular Dynamics Simulations of Normal Mode Vibrational Energy Transfer in Liquid Nitromethane

Kabadi, Vinayak N., Rice, Betsy M.

Journal:

Journal of Physical Chemistry A

Year:

2004

Language:

english

File:

PDF, 148 KB

english, 2004

24

Molecular Dynamics Simulations of Liquid Nitromethane

Sorescu, Dan C., Rice, Betsy M., Thompson, Donald L.

Journal:

Journal of Physical Chemistry A

Year:

2001

Language:

english

File:

PDF, 153 KB

english, 2001

25

Vibrational mode selectivity in the unimolecular decomposition of CH2NNO2

Rice, Betsy M., Grosh, John, Thompson, Donald L.

Journal:

The Journal of Chemical Physics

Year:

1995

Language:

english

File:

PDF, 475 KB

english, 1995

26

The multiscale coarse-graining method: Assessing its accuracy and introducing density dependent coarse-grain potentials

Izvekov, Sergei, Chung, Peter W., Rice, Betsy M.

Journal:

The Journal of Chemical Physics

Year:

2010

Language:

english

File:

PDF, 1.22 MB

english, 2010

27

Endothelin-B receptor activation triggers an endogenous analgesic cascade at sites of peripheral injury

Khodorova, Alla, Navarro, Betsy, Jouaville, Laurence Sophie, Murphy, Jo-Ellen, Rice, Frank L, Mazurkiewicz, Joseph E, Long-Woodward, Denise, Stoffel, Markus, Strichartz, Gary R, Yukhananov, Rus

Journal:

Nature Medicine

Year:

2003

Language:

english

File:

PDF, 1.25 MB

english, 2003

28

Molecular dynamics study of the effects of voids and pressure in defect-nucleated melting simulations

Agrawal, Paras M., Rice, Betsy M., Thompson, Donald L.

Journal:

The Journal of Chemical Physics

Year:

2003

Language:

english

File:

PDF, 524 KB

english, 2003

29

Predicting trends in rate parameters for self-diffusion on FCC metal surfaces

Paras M Agrawal, Betsy M Rice, Donald L Thompson

Journal:

Surface Science

Year:

2002

Language:

english

File:

PDF, 300 KB

english, 2002

30

The effectiveness of behavioural interventions in the primary prevention of Hepatitis C amongst injecting drug users: a randomised controlled trial and lessons learned

Mohammed Abou-Saleh, Paul Davis, Philip Rice, Ken Checinski, Colin Drummond, Douglas Maxwell, Christine Godfrey, Christopher John, Betsy Corrin, Christopher Tibbs, Adenekan Oyefeso, Marian de Ruiter,

Journal:

Harm Reduction Journal

Year:

2008

Language:

english

File:

PDF, 225 KB

english, 2008

31

NPT-MC simulations of enhanced solubility of RDX in polar-modified supercritical CO2

Paras M. Agrawal, Betsy M. Rice, Dan C. Sorescu, Donald L. Thompson

Journal:

Fluid Phase Equilibria

Year:

1999

Language:

english

File:

PDF, 289 KB

english, 1999

32

Effects of surface structure and of embedded-atom pair functionals on adatom diffusion on fcc metallic surfaces

Betsy M. Rice, Cheruvu S. Murthy, Bruce C. Garrett

Journal:

Surface Science

Year:

1992

Language:

english

File:

PDF, 1.32 MB

english, 1992

33

Theoretical Studies of the Hydrostatic Compression of RDX, HMX, HNIW, and PETN Crystals

Sorescu, Dan C., Rice, Betsy M., Thompson, Donald L.

Journal:

Journal of Physical Chemistry B

Year:

1999

Language:

english

File:

PDF, 95 KB

english, 1999

34

Molecular Dynamics Simulations of the Melting of 1,3,3-Trinitroazetidine

Agrawal, Paras M., Rice, Betsy M., Zheng, Lianqing, Velardez, Gustavo F., Thompson, Donald L.

Journal:

Journal of Physical Chemistry B

Year:

2006

Language:

english

File:

PDF, 95 KB

english, 2006

35

Reaction ensemble molecular dynamics: Direct simulation of the dynamic equilibrium properties of chemically reacting mixtures

Brennan, John K., Lísal, Martin, Gubbins, Keith E., Rice, Betsy M.

Journal:

Physical Review E

Year:

2004

Language:

english

File:

PDF, 42 KB

english, 2004

36

Theoretical Studies of Solid Nitromethane

Sorescu, Dan C., Rice, Betsy M., Thompson, Donald L.

Journal:

Journal of Physical Chemistry B

Year:

2000

Language:

english

File:

PDF, 176 KB

english, 2000

37

Molecular-dynamics study of detonation. I. A comparison with hydrodynamic predictions

Rice, Betsy M., Mattson, William, Grosh, John, Trevino, S. F.

Journal:

Physical Review E

Year:

1996

File:

PDF, 2.11 MB

1996

38

Near-neighbor calculations using a modified cell-linked list method

William Mattson, Betsy M. Rice

Journal:

Computer Physics Communications

Year:

1999

Language:

english

File:

PDF, 1.05 MB

english, 1999

39

Assessing a Generalized CHNO Intermolecular Potential through ab Initio Crystal Structure Prediction

Rice, Betsy M., Sorescu, Dan C.

Journal:

Journal of Physical Chemistry B

Year:

2004

Language:

english

File:

PDF, 331 KB

english, 2004

40

Dynamics of chemisorption/scattering of atomic hydrogen on partially covered Si(111) surfaces

Betsy M. Rice, Lionel M. Raff, Donald L. Thompson

Journal:

Surface Science

Year:

1988

Language:

english

File:

PDF, 3.92 MB

english, 1988

41

Multi-scale coarse-graining of non-conservative interactions in molecular liquids

Izvekov, Sergei, Rice, Betsy M.

Journal:

The Journal of Chemical Physics

Year:

2014

Language:

english

File:

PDF, 2.26 MB

english, 2014

42

Simulations of High-Pressure Phases in RDX

Munday, Lynn B., Chung, Peter W., Rice, Betsy M., Solares, Santiago D.

Journal:

Journal of Physical Chemistry B

Year:

2011

Language:

english

File:

PDF, 2.62 MB

english, 2011

43

Molecular Dynamics Simulations of Hexahydro-1,3,5-trinitro-1,3,5- s -triazine (RDX) Using a Combined Sorescu−Rice−Thompson AMBER Force Field

Agrawal, Paras M., Rice, Betsy M., Zheng, Lianqing, Thompson, Donald L.

Journal:

Journal of Physical Chemistry B

Year:

2006

Language:

english

File:

PDF, 111 KB

english, 2006

44

Transitioning model potentials to real systems

BEMBENEK, SCOTT D., RICE, BETSY M.

Journal:

Molecular Physics

Year:

1999

Language:

english

File:

PDF, 871 KB

english, 1999

45

Molecular dynamics study of the melting of nitromethane

Agrawal, Paras M., Rice, Betsy M., Thompson, Donald L.

Journal:

The Journal of Chemical Physics

Year:

2003

Language:

english

File:

PDF, 481 KB

english, 2003

46

Dietary Intake and Blood Cholesterol in an Active Elderly Population

Dattilo, Anne M., Fletcher, Barbara J., Almon, Lyn, Rice, Claire R., Jensen, Betsy E.

Journal:

Journal of Cardiopulmonary Rehabilitation

Year:

1993

File:

PDF, 1.04 MB

1993

47

AIP Conference Proceedings [Author(s) SHOCK COMPRESSION OF CONDENSED MATTER - 2015: Proceedings of the Conference of the American Physical Society Topical Group on Shock Compression of Condensed Matter - Tampa Bay, Florida, USA (14–19 June 2015)] - A perspective on modeling the multiscale response of energetic materials

Year:

2017

Language:

english

File:

PDF, 4.07 MB

english, 2017

48

Potential T Cell-Intrinsic Regulatory Roles for IRF5 via Cytokine Modulation in T Helper Subset Differentiation and Function

Brune, Zarina, Rice, Matthew R., Barnes, Betsy J.

Journal:

Frontiers in Immunology

Year:

2020

File:

PDF, 1.03 MB

2020

49

AIP Conference Proceedings [AIP SHOCK COMPRESSION OF CONDENSED MATTER - 2011: Proceedings of the Conference of the American Physical Society Topical Group on Shock Compression of Condensed Matter - Chicago, Illinois (26 June–1 July 2011)] - Nonequilibrium molecular dynamics simulations of aluminum oxynitride

Weingarten, N. Scott, Batyrev, Iskander G, Rice, Betsy M

Year:

2012

Language:

english

File:

PDF, 977 KB

english, 2012

50

The dimer-monomer equilibrium constant for [125I]β nerve growth factor

Betsy L. Rice, Robert W. Stach

Journal:

Biochemical and Biophysical Research Communications

Year:

1976

Language:

english

File:

PDF, 422 KB

english, 1976

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