Molecular dynamics simulations of surface-initiated melting of nitromethane
14th Nov 2006, 01:25 GMT
Ali Siavosh-Haghighi and Donald L. Thompson The melting of nitromethane initiated at solid-vacuum interfaces has been investigated using molecular dynamics nvt simulations with a realistic force field [D. C. Sorescu et al., J. Phys. Chem. B [bold 104], 8406 (2000)]. The calculated melting point (2515 K) is in good agreement with experiment ( ... [J. Chem. Phys. 125, 184711 (2006)] published Mon Nov 13, 2006.
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