Molecular structure
Beyond chemical boundaries: a conceptual profile for molecule and molecular structure.
... AND MOLECULAR STRUCTURE. The concepts of molecule and of molecular structure are so central to understand chemical phenomena that seems to be no doubt about the uniqueness of its mean- ...
8
Constructions of models for illustration of molecular structure in chemical class.
... OF MOLECULAR STRUCTURE IN CHEMICAL ...of molecular model for illus- tration of molecular structure in chemical class using cheap ...
4
O – An assessment of the molecular structure
... There are many borate minerals which have yet to have their vibrational spectrum determined and the molecular structure as- sessed in terms of their vibrational spectrum. Included in this group of natural ...
6
Cupin: A candidate molecular structure for the Nep1-like protein family
... 1vj2 structure, a protein with unknown function from Thermotoga maritima (a thermophilic Eubacteria with an optimum growth temperature of 80°C) belongs to the RmlC-like cupin SCOP superfamily, and the Mainly Beta ...
13
Molecular structure and functional analysis of runx3 in zebrafish
... and molecular approaches to improve our understanding of the complexity of Runx and Cbfβ variants and their implication for function, using zebrafish as a ...
243
Journal of Molecular Structure
... present structure is significantly smaller than that in the crystal of neutral 1-(diaminomethylene)thiourea mole- cule ...tronic structure of the 1-(diaminomethylene)thiouron-1-ium cat- ion, especially with ...
6
The molecular structure of the borate mineral inderite Mg(H4B3O
... As Ross rightly points out the spectra of borate minerals de- pends heavily on the possible anions in the mineral [22]. The coor- dination polyhedron around the boron atom will be either a triangle or a tetrahedron. In ...
5
Understanding the molecular structure using the ionized hydrogen molecule.
... orbital molecular simétrico incrementa a densidade eletrônica na região internuclear, enquanto o orbital molecular anti-simétrico leva a um decréscimo da densidade eletrônica na mesma ...
7
The molecular structure of the phosphate mineral senegalite Al2
... The financial and infra-structure support of the Discipline of Nanotechnology and Molecular Science, Science and Engineering Faculty of the Queensland University of Technology, is gratefully acknowledged. ...
6
The molecular structure of matioliite – NaMgAl5 (PO4)4 (OH)6
... the structure of burangaite, as well as matioliite, is a face-sharing triplet of octahedra [Al v 6–Mg v 6–Al v 6] corner linked to two Al v 6 octahedra and two PO 4 tetrahedra, were v is an unspecified anionic ...
7
IPET and FETR: experimental approach for studying molecular structure dynamics by cryo-electron tomography of a single-molecule structure.
... In EM reconstruction, ,100 high-noise images have never been used to generate 3D structure due to two reasons: the noise level is too high or the alignment is too poor. By excluding one possibility temporarily, ...
19
Assessment of the molecular structure of the borate mineral boracite Mg3B7O
... Burns showed the application of powder diffractions to identify boracites [10]. The structure of boracites has been refined [4]. A wide range of boracites have been synthesised and their dielectric properties ...
6
Journal of Molecular Structure
... of molecular backbones shows the conformational similarity between homolo- gous atoms in the three fused rings and their first neighbor ...remaining molecular geometry is very similar (see also Tables 4 and ...
11
J. Braz. Chem. Soc. vol.26 número8
... three-dimensional structure occurred after loop ...AHAS molecular structure, whereas the absence of the cofactors leaves empty space in an important AHAS region, consequently conferring instability ...
8
Quím. Nova vol.40 número4
... The Minnesota family of density functionals has been assessed for the calculation of the molecular structure and electronic properties of a Mg(II)-porphyrin, namely Magnesium Octaethylporphyrin (MgOEP). ...
5
Braz. J. Pharm. Sci. vol.51 número1
... FIGURE 2 – Optimized molecular structure for muscimol clusters in presence of water molecules using the solvation model density (SMD) method. The most important hydrogen bond distances are shown in figures ...
8
Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy
... in structure and ...the molecular structure of minerals con- taining oxyanions using IR and Raman spectroscopy, we report the Raman and infrared properties of ...
6
J. Bras. Patol. Med. Lab. vol.52 número5
... thyroid molecular biology studies provide not only insight into thyroid diseases but accurate diagnosis of thyroid ...protein molecular modeling of genetic markers for thyroid ...the molecular ...
14
J. Braz. Chem. Soc. vol.19 número3
... 1,2-diamine and tetraphenylborate ligands. The structure determination of the complex shows a discrete molecular structure and a distorted tetrahedral geometry around the silver atom. A major finding ...
5
IDENTIFICATION OF PHARMACOLOGICAL TARGETS COMBINING DOCKING AND MOLECULAR DYNAMICS SIMULATIONS
... Studies that include both experimental data and computational simulations (in silico) have increased in number because the techniques are complementary. In silico methodologies are currently an essential component of ...
18