Russian Journal of Inorganic Chemistry, Tập 48,Trang 1-454British Library Lending Division with the cooperation of the Royal Society of Chemistry, 2003 |
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... method . Systems with open shells or those whose spin states were not so evident were calculated by both the RHF method and by the unrestricted Hartree - Fock ( UHF ) method [ 9 , 31 ] . In calculations of rotational contributions to ...
... method . Systems with open shells or those whose spin states were not so evident were calculated by both the RHF method and by the unrestricted Hartree - Fock ( UHF ) method [ 9 , 31 ] . In calculations of rotational contributions to ...
Trang 92
... method for intermolecu- lar interactions , i.e. , the atom - atom potential method , employs average values R. ( vdW ) . For carbon - carbon interactions , a wide variety of potentials f¡ ( C ) exist for different classes of molecules ...
... method for intermolecu- lar interactions , i.e. , the atom - atom potential method , employs average values R. ( vdW ) . For carbon - carbon interactions , a wide variety of potentials f¡ ( C ) exist for different classes of molecules ...
Trang 372
... method from F2 Full - matrix least - square method from F2 R1 = 0.0431 , wR2 = 0.0973 R1 = 0.0660 , wR2 = 0.1064 0.0002 ( 1 ) -2.494 / 3.004 ( around Cs atom ) Table 2. Atomic coordinates ( x104 ) and isotropic equivalent. Empirical ...
... method from F2 Full - matrix least - square method from F2 R1 = 0.0431 , wR2 = 0.0973 R1 = 0.0660 , wR2 = 0.1064 0.0002 ( 1 ) -2.494 / 3.004 ( around Cs atom ) Table 2. Atomic coordinates ( x104 ) and isotropic equivalent. Empirical ...
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Vol 48 No 1 | 1 |
Synthesis and Magnetic Properties of a Complex Oxide Ca3Cuo 5Ni0 5MnO6 | 7 |
Thermal Dissociation of LnMn2O5 Ln Y Pr Nd Sm Lu in | 13 |
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