Russian Journal of Inorganic Chemistry, Tập 48,Số phát hành 1-4British Library Lending Division with the cooperation of the Royal Society of Chemistry, 2003 |
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Trang 84
... 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 ƒ¡ ( 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 ƒ¡ ( C ) exist for different classes of molecules ...
Trang 278
... method was employed . This method was first proposed by Le Bot and Montagner [ 1 ] . Yastremskii [ 2 ] showed its applicability to electrolyte solutions . This method is advantageous over other methods for dielectric con- stant ...
... method was employed . This method was first proposed by Le Bot and Montagner [ 1 ] . Yastremskii [ 2 ] showed its applicability to electrolyte solutions . This method is advantageous over other methods for dielectric con- stant ...
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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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