검색결과 : 4건
No. | Article |
---|---|
1 |
What Makes the Huge P-31-P-31 Coupling Constants in S(PF2)(2) and Se(PF2)(2) Vary So Much with Temperature? Reilly AM, Wann DA, Rankin DWH Journal of Physical Chemistry A, 113(5), 938, 2009 |
2 |
Experimental Equilibrium Structures: Application of Molecular Dynamics Simulations to Vibrational Corrections for Gas Electron Diffraction Wann DA, Zakharov AV, Reilly AM, McCaffrey PD, Rankin DWH Journal of Physical Chemistry A, 113(34), 9511, 2009 |
3 |
The phonon spectrum of phase-I ammonia: reassignment of lattice mode symmetries from combined molecular and lattice dynamics calculations Reilly AM, Middlemiss DS, Siddick MM, Wann DA, Ackland GJ, Wilson CC, Rankin DWH, Morrison CA Journal of Physical Chemistry A, 112(6), 1322, 2008 |
4 |
Experimental equilibrium crystal structures: Molecular dynamics as a probe for atomic probability density functions Reilly AM, Wann DA, Morrison CA, Rankin DWH Chemical Physics Letters, 448(1-3), 61, 2007 |