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Coordinates of basis atoms and thermal parameters in the Pr ( HL ) 3Cl3 structure 166 ( 6 ) | C ( 5 ) | -1721 ( 15 ) 75 ( 2 ) C ( 6 ) -1869 ( 22 ) 80 ( 7 ) C ( 7 ) -2190 ( 15 ) 115 ( 10 ) C ( 8 ) -2757 ( 21 ) Pr O ( 1 ) Fig . 2.
Coordinates of basis atoms and thermal parameters in the Pr ( HL ) 3Cl3 structure 166 ( 6 ) | C ( 5 ) | -1721 ( 15 ) 75 ( 2 ) C ( 6 ) -1869 ( 22 ) 80 ( 7 ) C ( 7 ) -2190 ( 15 ) 115 ( 10 ) C ( 8 ) -2757 ( 21 ) Pr O ( 1 ) Fig . 2.
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F. Engel'sa 7 , Ivanovo , 153460 Russia Received March 16 , 1995 Abstract - Basis - set effects , including effects of f - type polarization functions , and electron correlation effects on the results of ab initio calculations of ...
F. Engel'sa 7 , Ivanovo , 153460 Russia Received March 16 , 1995 Abstract - Basis - set effects , including effects of f - type polarization functions , and electron correlation effects on the results of ab initio calculations of ...
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The largest of the basis sets employed previously in Hartree - Fock calculations of the ScF , molecule is the Huzinaga even - tempered basis set ( W ) [ 15 ] , which yields results approaching the Hartree - Fock limit according to the ...
The largest of the basis sets employed previously in Hartree - Fock calculations of the ScF , molecule is the Huzinaga even - tempered basis set ( W ) [ 15 ] , which yields results approaching the Hartree - Fock limit according to the ...
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