검색결과 : 9건
| No. | Article |
|---|---|
| 1 |
Revisiting the Blind Tests in Crystal Structure Prediction: Accurate Energy Ranking of Molecular Crystals Asmadi A, Neumann MA, Kendrick J, Girard P, Perrin MA, Leusen FJJ Journal of Physical Chemistry B, 113(51), 16303, 2009 |
| 2 |
Tailor-made force fields for crystal-structure prediction Neumann MA Journal of Physical Chemistry B, 112(32), 9810, 2008 |
| 3 |
Energy ranking of molecular crystals using density functional theory calculations and an empirical van der Waals correction Neumann MA, Perrin MA Journal of Physical Chemistry B, 109(32), 15531, 2005 |
| 4 |
Rotation-libration and rotor-rotor coupling in 4-methylpyridine Neumann MA, Plazanet M, Johnson MR, Trommsdorff HP Journal of Chemical Physics, 120(2), 885, 2004 |
| 5 |
The crystal structure of methane phase III Neumann MA, Press W, Noldeke C, Asmussen B, Prager M, Ibberson RM Journal of Chemical Physics, 119(3), 1586, 2003 |
| 6 |
A simulated annealing approach for crystal structure solution from powder diffraction data Engel GE, Wilke S, Harris KDM, Kariuki BM, Ahn S, Leusen FJJ, Neumann MA Molecular Crystals and Liquid Crystals Science and Technology. Section A. Molecular Crystals and Liquid Crystals, 356, 355, 2001 |
| 7 |
Methyl group rotational tunneling in vibrational spectra of crystals at low temperatures Plazanet M, Neumann MA, Trommsdorff HP Chemical Physics Letters, 320(5-6), 651, 2000 |
| 8 |
Complexation of C-60 fullerene with cholesteryl group-bearing pullulan in aqueous medium Lai DT, Neumann MA, Matsumoto M, Sunamoto J Chemistry Letters, 29(1), 64, 2000 |
| 9 |
Rotational dynamics of methyl groups in durene: A crystallographic, spectroscopic, and molecular mechanics investigation Neumann MA, Johnson MR, Radaelli PG, Trommsdorff HP, Parker SF Journal of Chemical Physics, 110(1), 516, 1999 |