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Betsy Rice
Betsy Rice
Research Chemist
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Titel
Zitiert von
Zitiert von
Jahr
Improved prediction of heats of formation of energetic materials using quantum mechanical calculations
EFC Byrd, BM Rice
The Journal of Physical Chemistry A 110 (3), 1005-1013, 2006
6542006
A quantum mechanical investigation of the relation between impact sensitivity and the charge distribution in energetic molecules
BM Rice, JJ Hare
The Journal of Physical Chemistry A 106 (9), 1770-1783, 2002
6142002
Predicting heats of formation of energetic materials using quantum mechanical calculations
BM Rice, SV Pai, J Hare
Combustion and flame 118 (3), 445-458, 1999
4511999
Predicting trends in rate parameters for self-diffusion on FCC metal surfaces
PM Agrawal, BM Rice, DL Thompson
Surface Science 515 (1), 21-35, 2002
4112002
Intermolecular potential of carbon dioxide dimer from symmetry-adapted perturbation theory
R Bukowski, J Sadlej, B Jeziorski, P Jankowski, K Szalewicz, ...
The Journal of chemical physics 110 (8), 3785-3803, 1999
3401999
Density functional calculations of bond dissociation energies for NO2 scission in some nitroaromatic molecules
BM Rice, S Sahu, FJ Owens
Journal of Molecular Structure: THEOCHEM 583 (1-3), 69-72, 2002
2982002
Accurate predictions of crystal densities using quantum mechanical molecular volumes
BM Rice, JJ Hare, EFC Byrd
The Journal of Physical Chemistry A 111 (42), 10874-10879, 2007
2442007
Ab Initio and Nonlocal Density Functional Study of 1,3,5-Trinitro-s-triazine (RDX) Conformers
BM Rice, CF Chabalowski
The Journal of Physical Chemistry A 101 (46), 8720-8726, 1997
2071997
Ab Initio Study of Compressed 1, 3, 5, 7-Tetranitro-1, 3, 5, 7-tetraazacyclooctane (HMX), Cyclotrimethylenetrinitramine (RDX), 2, 4, 6, 8, 10, 12-Hexanitrohexaazaisowurzitane …
EFC Byrd, BM Rice
The Journal of Physical Chemistry C 111 (6), 2787-2796, 2007
1962007
Near-neighbor calculations using a modified cell-linked list method
W Mattson, BM Rice
Computer Physics Communications 119 (2-3), 135-148, 1999
1961999
Intermolecular potential for the hexahydro-1, 3, 5-trinitro-1, 3, 5-s-triazine crystal (RDX): A crystal packing, Monte Carlo, and molecular dynamics study
DC Sorescu, BM Rice, DL Thompson
The Journal of Physical Chemistry B 101 (5), 798-808, 1997
1751997
Predicting structure of molecular crystals from first principles
R Podeszwa, BM Rice, K Szalewicz
Physical review letters 101 (11), 115503, 2008
1742008
Theoretical studies of the hydrostatic compression of RDX, HMX, HNIW, and PETN crystals
DC Sorescu, BM Rice, DL Thompson
The Journal of Physical Chemistry B 103 (32), 6783-6790, 1999
1731999
Theoretical predictions of energetic molecular crystals at ambient and hydrostatic compression conditions using dispersion corrections to conventional density functionals (DFT-D)
DC Sorescu, BM Rice
The Journal of Physical Chemistry C 114 (14), 6734-6748, 2010
1692010
Evaluation of electrostatic descriptors for predicting crystalline density
BM Rice, EFC Byrd
Journal of computational chemistry 34 (25), 2146-2151, 2013
1462013
Isothermal− Isobaric Molecular Dynamics Simulations of 1, 3, 5, 7-Tetranitro-1, 3, 5, 7-tetraazacyclooctane (HMX) Crystals
DC Sorescu, BM Rice, DL Thompson
The Journal of Physical Chemistry B 102 (35), 6692-6695, 1998
1271998
Simulations of high-pressure phases in RDX
LB Munday, PW Chung, BM Rice, SD Solares
The Journal of Physical Chemistry B 115 (15), 4378-4386, 2011
1262011
Molecular dynamics study of the melting of nitromethane
PM Agrawal, BM Rice, DL Thompson
The Journal of chemical physics 119 (18), 9617-9627, 2003
1232003
The multiscale coarse-graining method: Assessing its accuracy and introducing density dependent coarse-grain potentials
S Izvekov, PW Chung, BM Rice
The Journal of chemical physics 133 (6), 2010
1212010
Theoretical studies of solid nitromethane
DC Sorescu, BM Rice, DL Thompson
The Journal of Physical Chemistry B 104 (35), 8406-8419, 2000
1202000
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