Rotational barriers in 19 molecules possessing a single internal rotation angle around a B-N, C-C, C-N, C-O, N-N, N-O, O-O central bond and geometrical isomerism in 3 molecules possessing a N=N double bond have been studied ab initio by the improved bond-orbital method. The first...
Another feature of HB which adds to the complexity of its description is directionality; frequently, the angle A–H⋯B is not straight, meaning that the interaction is not purely electrostatic, and that a partial degree of covalency exists. This effect can be understood in terms of partial ...
It was shown that the electrostatic loop is disordered in the absence of the Cys57–Cys146 bond by small-angle X-ray scattering and H/D exchange reactions detected by NMR39. Our group also reported that, using UV resonance Raman spectroscopy, the acquisition of the pro-oxidant activity ...
What is the C-C-H bond angle in the molecule H2CCO? In the given pair of molecules, which is the stronger base? Write its Lewis structure. OH_2 or Br_2 What are the shape and bond angles of a SeCl_{6} molecule? Base pairing between the two strands...
Ab initio and equilibrium bond angles. Structures of HNO and H2O2StructureAngleAb initioThe possibility of calculating accurate ab initio bond angles is examined using a sample of 29 molecules (35 independent angles) containing only first row atoms and whose equilibrium structures are known. Three ...
The energy calculations as a function of the torsion angle () around the N(amide)–C(benzene) bond for HMepma reveal that the minimum energysynandantiperiplanar conformations of the carboxamide functions are more stable than the correspondingsynandantiplanar ones (= 0 and 180°) by 0.18 and ...
The energy calculations as a function of the torsion angle () around the N(amide)–C(benzene) bond for HMepma reveal that the minimum energy synand antiperiplanar conformations of the carboxamide functions are more stable than the corresponding synand antiplanar ones (= 0 and 180°) by 0.18...