Russian Journal of Inorganic Chemistry, Tập 46,Số phát hành 5-8British Library Lending Division with the cooperation of the Royal Society of Chemistry, 2001 |
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... calculated using the PM3 method . Quantitative correlations for an a priori estimation of these values were ... calculated under rigid molecule approxi- mation ( in which rotation and inversion barriers signif- icantly exceed kT ) ...
... calculated using the PM3 method . Quantitative correlations for an a priori estimation of these values were ... calculated under rigid molecule approxi- mation ( in which rotation and inversion barriers signif- icantly exceed kT ) ...
Trang 698
... calculated interatomic distances R Com- AH fexp / 4.184 , Refer - AHtheor / 4.184 , kJ / mol Com- pound Distance ... calculated bond angles Table 2. Experimental and calculated standard entropy values Com- pound Sexp / 4.184 , J / ( mol ...
... calculated interatomic distances R Com- AH fexp / 4.184 , Refer - AHtheor / 4.184 , kJ / mol Com- pound Distance ... calculated bond angles Table 2. Experimental and calculated standard entropy values Com- pound Sexp / 4.184 , J / ( mol ...
Trang 760
... calculated according the theoretical model described by Eqs . ( 8 ) – ( 10 ) ( solid lines ) , and from the Asim matrix by means of ALS - MCR ( dotted line ) and KALS ( dashed line ) . pH the set of forms , we calculated , based on the ...
... calculated according the theoretical model described by Eqs . ( 8 ) – ( 10 ) ( solid lines ) , and from the Asim matrix by means of ALS - MCR ( dotted line ) and KALS ( dashed line ) . pH the set of forms , we calculated , based on the ...
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Vol 46 No 5 | 623 |
Synthesis and Properties of Inorganic Compounds | 639 |
Synthesis of Nanosized Ferrite Powders from Hydrothermal and Supercritical Solutions | 646 |
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