What is the hybridization of the atoms from left to right? H2C=C=CH-CH2-CH=CH2 Hybridization: Hybridization is the mixing of atomic orbitals in order to form new orbitals with a different shape. These new hybrid orbitals allow the atoms to form chemical bonds, accor...
A fully geometryoptimized MNDO calculation allows to assign the observed ionization energies and yields estimates for other molecular properties, e.g. a rather high dipole moment.doi:10.1515/znb-1987-0702Ralph DammelHans BockVerlag der Zeitschrift für Naturforschung...
Structures corresponding to 4 with main group fragments have been studied with the MNDO method (4: ML2 = AlH2, BH2, CH2+; R = H). For comparison the pyramidal structure 12, a D2h structure 14, and the planar six-membered ring 15 were also included. 14 was found to be the most ...
VG Koleva - 《Spectrochimica Acta Part A Molecular & Biomolecular Spectroscopy》 被引量: 20发表: 2005年 Neutron refinement of the crystal structure of partially exchanged taurine, (ND 3+ )0.65(NH 3+ )0.35(CH2)2SO 3 Refinement of neutron-diffraction data from a partially deuteriated single cr...
The geometries and rotational barriers of the silicon compounds are compared with those of the carbon analogues C6H5CH3 and C6H5CH2 calculated at uniform levels of theory. Minimal π-conjugation is predicted for C5H5SiH2, with the negative charge primarily localized on the silicon atom. π-...