The Cartesian co-ordinates thus obtained were afterwards used in calculations to determine various aspects of the molecular geometry of bromomiroestrol (Fig. 1). A series of 'best' plane equations (Table 1) has been calculated for the entire molecule and its various sub-portions using the ...
The refined model consists of 198 residues (Tyr22 - Thr234) with good geometry (95.8% in the preferred region (182 residues), 4.2% in the allowed region (8 residues) and no outliers of the Ramachandran plot) as well as three sulfate ions, one chloride ion and ten water molecules. ...
The copper atoms are five-co-ordinate and the co-ordination geometry is that of a distorted square pyramid. The Cu Cu distance is 3.215 A. The compound has a nearly normal magnetic moment at room temperature and the results of the present investigation are discussed in connection with the ...
The metal geometry is square pyramidal. The dimensions of the vanadium coordination spheres are given in Table V. The structure of (I) is shown in Fig. 1 together with the atomic numbering scheme. The V-O bond 66 TABLE V. Dimensions in the Coordination Sphere. Dimensions in (I) V(l)-...
Ab initioMODPOT/VRDDO SCF calculations were carried out on the neutral-anion dimer [C6H5OH OC6H5] to optimize the equilibrium geometry. Electrostatic molecular potential contour maps have been generated from the ab initioMODPOT/VRDDO results in the molecular plane and in the plane perpendicular...
A wealth of neuromodulatory transmitters regulate synaptic circuits in the brain. Their mode of signaling, often called volume transmission, differs from classical synaptic transmission in important ways. In synaptic transmission, vesicles rapidly fuse i
In a bid to enhance the ferroelectricity of such fluidic soft materials, we24 and others25–27 have focused on a strategy in which a polarized metal complex incor- porating a square pyramidal coordination geometry is incorporated into molecule cores. In particular, oxovanadium (VO) complexes ...
We expect this to consti- tute a favourable geometry for the selective binding of tetrahedral anions. 1546 F. P. SCHMIDTCHEN, A. GLEICH AND A. SCHUMMER At present the utility of linear polytopic hosts to boost selectivity still needs fortification. Nevertheless, we strive for it with the ...
(intensity distribution of the laser beam, aperture of the fiber optics, scattering geometry) on the scattering intensity, and on the amplitude of the cross-correlation function for the three-dimensional (3D) coding cross-correlation experiment. The theory makes use of the rotation operator when ...
In 1991, Dodonov's group demonstrated the orthogonal acceleration instrument geometry with an ESI source. It soon became apparent that the higher sensitivity and the superior resolution of oa-TOF-MS was a compelling reason to develop these instruments commercially. Moreover, within 5 years, ...