Many of the physical and chemical properties of water are due to its structure. The atoms in the water molecule are arranged with the two H–O bonds at an angle of about 105° rather than on directly opposite sides of the oxygen atom. The asymmetrical shape of the molecule arises from a...
Local minimum structures are collected on the fly, and the ultrafast shape recognition algorithm was used to remove duplicate structures. These structures are then refined at the B3LYP/6-31+G* level. The number of distinct local minima we found (21, 76, 369, 1443, and 3563 isomers for n ...
magnetic fields in Uranus and Neptune60. Since SI ice is likely to dominate the deeper sluggish layer that underlies the shallow fluid outer layer in which the magnetic field is produced, the large electrical conductivity of the SI phase can have a substantial impact on the geometry and time e...
The Coulomb explosion of H2O in laser pulses of 50 fs and intensity of 3 X 10(16) W/cm(2) has been investigated using an ion momentum-imaging technique to determine the shape of the exploding molecule. The molecule is found to straighten substantially during the ionization process with the...
关键词:双齿甜菜碱类衍生物;La㈣配位化合物;Nd㈣配位化合物;(H0)分子簇;分子夹中图分类号:0614.33文献标识码:A文章编号:1001—4861(2014)09.2189.08DOI:10.11862/CJIC.2014.275CrystalandMolecularStructuresofL叻andNd(IDwithBidentateBetaineDerivative1,5-Bis(3-carboxypyridiniuties)-N-methyl-diethylamine...
29. We therefore adopt the same geometry for the modelling in this work, which is adequately treated within RADEX (that is, treating the dust continuum plus the CMB as background fields for the absorbing material)8. The dust continuum emission is modelled as a grey body with treatingTdust,...
In general, complex A revealed a higher antibacterial activity compared to complex B., may be due to structure shape activities since complex A is with two six hetero-membered rings while complex B is with two five hetero-membered rings. Nevertheless, both complexes showed very good results as...
infinitemolecularsolidswithnovelstructuraltopo—logiesattractconsiderableattentionfortheirpo—tentialapplicationsasfunctionalmaterialsandtheirfascinatingarchitectures⋯.Inthelastdecade,lotsofmetal-·directedsupramolecularcomplexeswithva-·riousstructuralmotifsincludingmolecularladder,helicates,honeycomb,brickwall,grid,T—shape...
High shape specificity was observed in the recognition process.\nCai-MingCoordinationLiuCoordinationXiao-ZengCoordinationYouCoordination&CoordinationWeiCoordinationChenCoordinationInformaworldJournal of Coordination ChemistryC M Liu,X Z You,W Chen.Molecular recognition of an organic molecule by bis (...
Molecular Tectonics. Porous Hydrogen-Bonded Networks Built from Derivatives of 2,2,7,7-Tetraphenyl-9,9-spirobi[9H-fluorene]. The cruciform shape of spirobifluorene disfavors close molecular packing, and more complex derivatives with multiple sites of hydrogen bonding are known to... ...