共 50 条
- [21] Ab initio structure determination of quasicrystals via single crystal X-ray diffraction QUASICRYSTALS 2003-PREPARATION, PROPERTIES AND APPLICATIONS, 2004, 805 : 73 - 82
- [23] A Remarkably Bent Allene. X-ray Crystal Structure and ab initio Calculations Journal of Physical Organic Chemistry, 8 (02):
- [28] Ring conformation and ester orientation in dihydropyrimidinecarboxylates: a combined theoretical (ab initio, density functional) and X-ray crystallographic study THEOCHEM-JOURNAL OF MOLECULAR STRUCTURE, 1998, 432 (03): : 219 - 228
- [29] Effect of hydrostatic pressure on the crystal structure of sodium oxalate:: X-ray diffraction study and ab initio simulations ZEITSCHRIFT FUR KRISTALLOGRAPHIE, 2006, 221 (03): : 186 - 197