Russian Journal of Inorganic Chemistry, Tập 42,Trang 1449-1974Chemical Society., 1997 |
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Trang 1734
... calculated within the projected PUHF , PUMP2 , etc. , approximations exerts virtually no effect on relative energies Erel . In all cases , the numbers of structures are given in boldface . We used the same des- ignations and ...
... calculated within the projected PUHF , PUMP2 , etc. , approximations exerts virtually no effect on relative energies Erel . In all cases , the numbers of structures are given in boldface . We used the same des- ignations and ...
Trang 1859
... calculated by solv- ing the set of equations ( 15 ) . The J , matrix elements were calculated analytically by the known relation- ships [ 19 ] . The elements of the J , and Gne matrices were also calculated analytically . The latter are ...
... calculated by solv- ing the set of equations ( 15 ) . The J , matrix elements were calculated analytically by the known relation- ships [ 19 ] . The elements of the J , and Gne matrices were also calculated analytically . The latter are ...
Trang 1913
... calculations ( in square brackets , see [ 20 ] ) are shown in Fig . 1. These values are in good agreement with those calculated in this work . 1.501 P 1.578 P ( a ) 1.183 121.9 ° 175.6 ° ( b ) P 117.0 ° 2 , D2 106.0 ° 114.1 ° Fig . 2 ...
... calculations ( in square brackets , see [ 20 ] ) are shown in Fig . 1. These values are in good agreement with those calculated in this work . 1.501 P 1.578 P ( a ) 1.183 121.9 ° 175.6 ° ( b ) P 117.0 ° 2 , D2 106.0 ° 114.1 ° Fig . 2 ...
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First International Workshop Sulfurous Compounds and the Environment | 1448 |
Vol 42 No 10 | 1449 |
Magnetoresistive Manganites La0 67Ca0 33MnO3 and La0 60Y0 07Ca0 33MnO3 | 1461 |
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ų absorption bands Academy of Sciences acid Acta Akad analysis angles anions annealing atoms Biso bond lengths calculated cations Chem chemical chloride cm-¹ complex composition concentration COORDINATION COMPOUNDS copper(II corresponding crystal structure Crystallogr curve decrease determined diagram dimers distances electronic absorption English Translation Copyright equilibrium experimental fluorine formation H₂O Hayka/Interperiodica Publishing Russia heat hydrogen bonds hydroxide Inorg Inorganic Chemistry interaction ions iron(III isomer Khim kinetic ligand MAHK Hayka/Interperiodica Publishing melting metal method Moscow NaH2PO4 Nauk Neorg NMR spectra Original Russian Text oxide oxo anions oxygen atoms phase transitions platinum(II plexes polyhedra polyhedron proton ratio reaction respectively Russia Received Russian Academy Russian Text Copyright salt samples solid solutions solubility sorbent space group spectrum studied superconductor synthesis Table temperature thermal tion trans unit cell unit cell parameters values vibrations water molecules X-ray diffraction X-ray powder diffraction