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33749650992
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King W.P., Saxena S., Nelson B.A., Weeks B.L., and Pitchimani R. Nano Lett. 6 (2006) 2145
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King, W.P.1
Saxena, S.2
Nelson, B.A.3
Weeks, B.L.4
Pitchimani, R.5
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0030708835
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Eiceman G.A., Preston D., Tiano G., Rodriguez J., and Parmeter J.E. Talanta 45 (1997) 57
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Eiceman, G.A.1
Preston, D.2
Tiano, G.3
Rodriguez, J.4
Parmeter, J.E.5
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9
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48049118252
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R. Behrens, JOWOG Focused Exchange Meeting, 2003, Sandia National Lab. Albuquerque, NM.
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R. Behrens, JOWOG Focused Exchange Meeting, 2003, Sandia National Lab. Albuquerque, NM.
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12
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48049101982
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A.K. Burnham, R. Gee, A. Maiti, R. Qiu, P. Rajasekar, B.L. Weeks, L.A. Zepeda-Ruiz, LLNL Technical Report, UCRL-TR-216963, 2005.
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A.K. Burnham, R. Gee, A. Maiti, R. Qiu, P. Rajasekar, B.L. Weeks, L.A. Zepeda-Ruiz, LLNL Technical Report, UCRL-TR-216963, 2005.
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33646946152
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Zepeda-Ruiz L.A., Maiti A., Gee R., Gilmer G.H., and Weeks B.L. J. Crystal Growth 291 (2006) 461
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Zepeda-Ruiz, L.A.1
Maiti, A.2
Gee, R.3
Gilmer, G.H.4
Weeks, B.L.5
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16
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48049110129
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The number of energy categories is obtained by calculating all possible combinations using 2 first, 8 second, and 4 third nearest-neighbors. Restricting interactions to the (1 1 0) surface of PETN reduces the number of possible energy categories from 135 to 63. This reduction is because any molecule on this surface must have at least 4 neighbors in the plane below (2 second and 2 third nearest-neighbors).
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The number of energy categories is obtained by calculating all possible combinations using 2 first, 8 second, and 4 third nearest-neighbors. Restricting interactions to the (1 1 0) surface of PETN reduces the number of possible energy categories from 135 to 63. This reduction is because any molecule on this surface must have at least 4 neighbors in the plane below (2 second and 2 third nearest-neighbors).
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17
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0042041206
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Rappe A.K., Casewit C.J., Colwell K.S., Goddard III W.A., and Skiff W.M. J. Am. Chem. Soc. 114 (1992) 10024
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(1992)
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Rappe, A.K.1
Casewit, C.J.2
Colwell, K.S.3
Goddard III, W.A.4
Skiff, W.M.5
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21
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48049095783
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Every time a step crosses the boundary, it enters back on the opposite site at a lower level in height enforcing the existence of a constant number of steps during the simulation. See G.H. Gilmer, P. Bennema, J. Appl. Phys. 43 (1972) 11347.
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Every time a step crosses the boundary, it enters back on the opposite site at a lower level in height enforcing the existence of a constant number of steps during the simulation. See G.H. Gilmer, P. Bennema, J. Appl. Phys. 43 (1972) 11347.
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22
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48049123557
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Kink formation energies were obtained as the difference between the number of bonds destroyed when removing a molecule from the edge of a step and the number of bonds created when placing the same molecule at a kink site divided by 2 (the number of kink sites created in the process).
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Kink formation energies were obtained as the difference between the number of bonds destroyed when removing a molecule from the edge of a step and the number of bonds created when placing the same molecule at a kink site divided by 2 (the number of kink sites created in the process).
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23
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48049097348
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e = - 44.85 kcal / mol (a PETN molecule with 1 first, 5 second, and 2 third nearest neighbors) for [over(1, -) 1 2]-steps, and - 47.90 kcal / mol (a PETN molecule with 2 first, 4 second, and 2 third nearest neighbors) for [over(1, -) 1 0]-steps.
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e = - 44.85 kcal / mol (a PETN molecule with 1 first, 5 second, and 2 third nearest neighbors) for [over(1, -) 1 2]-steps, and - 47.90 kcal / mol (a PETN molecule with 2 first, 4 second, and 2 third nearest neighbors) for [over(1, -) 1 0]-steps.
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