On the intermolecular order in amorphous polycarbonate. Neutron scattering results and model calculations

Ab initio calculations on (SiH3)2F+: sta

Ab initio calculations on (SiH3)2F+: stability in the gas phase and model for bridging fluorine atom in ion-implanted amorphous silicon

✍ Edgar W. Ignacio; H.Bernhard Schlegel; Jozef Bicerano 📂 Article 📅 1986 🏛 Elsevier Science 🌐 English ⚖ 527 KB

Ab initio calculations have been performed on model molecular clusters simulating bridging fluorine configurations in fluorinated amorphous silicon. Optimized geometries, total energies and vibrational frequencies have been computed for (SiH&F+ clusters with the terminal SiH, groups eclipsed or stag