Betsy Rice
Betsy Rice
Research Chemist
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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
5472006
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
5202002
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
4121999
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
3502002
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
3091999
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
2642002
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
1982007
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
1852007
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
1811997
Near-neighbor calculations using a modified cell-linked list method
W Mattson, BM Rice
Computer Physics Communications 119 (2-3), 135-148, 1999
1711999
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
1681997
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
1641999
Predicting structure of molecular crystals from first principles
R Podeszwa, BM Rice, K Szalewicz
Physical review letters 101 (11), 115503, 2008
1542008
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
1492010
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
1211998
Theoretical studies of solid nitromethane
DC Sorescu, BM Rice, DL Thompson
The Journal of Physical Chemistry B 104 (35), 8406-8419, 2000
1162000
Molecular dynamics study of the melting of nitromethane
PM Agrawal, BM Rice, DL Thompson
The Journal of chemical physics 119 (18), 9617-9627, 2003
1122003
Predicting heats of detonation using quantum mechanical calculations
BM Rice, J Hare
Thermochimica Acta 384 (1-2), 377-391, 2002
1102002
Evaluation of electrostatic descriptors for predicting crystalline density
BM Rice, EFC Byrd
Journal of computational chemistry 34 (25), 2146-2151, 2013
1072013
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
1012011
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