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Kết quả 1-3 trong 51
Trang 1977
Calculated characteristics of alternative structures of the Al H7 anion ( 1 ) Optimized internuclear distances R ( Å ) , bond angles o ( deg ) , and dihedral angles 0 ( deg ) ; HF and MP2 approximations Structure la , C , lb , C2v 1c ...
Calculated characteristics of alternative structures of the Al H7 anion ( 1 ) Optimized internuclear distances R ( Å ) , bond angles o ( deg ) , and dihedral angles 0 ( deg ) ; HF and MP2 approximations Structure la , C , lb , C2v 1c ...
Trang 1981
Structure 1 , C 2 , C2v 3 , C2v parameter HF MP2 parameter HF R ( Al H2 ) 3.599 3.592 R ( AIH ) 3.389 R ( Al Alz ) 2.843 2.761 R ( Al Alz ) 3.017 R ( Aljald ) 3.465 3.405 R ( Al A14 ) 3.017 R ( AlzA1 ) 3.010 2.930 R ( AlzA14 ) 3.080 R ...
Structure 1 , C 2 , C2v 3 , C2v parameter HF MP2 parameter HF R ( Al H2 ) 3.599 3.592 R ( AIH ) 3.389 R ( Al Alz ) 2.843 2.761 R ( Al Alz ) 3.017 R ( Aljald ) 3.465 3.405 R ( Al A14 ) 3.017 R ( AlzA1 ) 3.010 2.930 R ( AlzA14 ) 3.080 R ...
Trang 1982
Structure 5a , C2v 5d , C , parameter HF MP2 parameter parameter A ( H10Al ; A12H3 ) O ( H Al , Al2Hz ) O ( H , AlqAl2H3 ) ( HgAl Al H3 ) O ( HgAl - A12H3 ) O ( HA1 , A12H3 ) 6 , C , 8 , C2v 2.588 3.120 2.588 1.578 1.986 1.862 1.586 R ...
Structure 5a , C2v 5d , C , parameter HF MP2 parameter parameter A ( H10Al ; A12H3 ) O ( H Al , Al2Hz ) O ( H , AlqAl2H3 ) ( HgAl Al H3 ) O ( HgAl - A12H3 ) O ( HA1 , A12H3 ) 6 , C , 8 , C2v 2.588 3.120 2.588 1.578 1.986 1.862 1.586 R ...
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absorption According acid addition analysis angles anion aqueous atoms bands bond bridge calculated carbon cation Chem chemical Chemistry complexes composition compounds concentration constants containing coordination Copyright corresponding crystal decrease dependence described determined distances effect electron energy experimental extraction formation frequencies heating higher hydrogen increase indicates Inorganic Institute interaction ions Khim layers lengths ligand measured melt metal method mixed mixture molecule Moscow Neorg observed obtained occurs oxidation oxygen parameters patterns phase polyhedra positions precipitate prepared present properties Publishing R(Al range ratio reaction REFERENCES reflections respectively Russian salt samples Sciences shows similar sodium solid solution space group spectra spectrum stability structure studied surface synthesis Table temperature thermal tion Translation unit cell uranium values vibrations X-ray X-ray diffraction yield zirconium