Russian Journal of Inorganic Chemistry, Tập 46,Số phát hành 1-4British Library Lending Division with the cooperation of the Royal Society of Chemistry, 2001 |
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Trang 95
... energy of C60X , and C70X , two contributions to the total energy of the chemically modified system are taken into account : the contribution associated with a change in electronic energy at the initial geometry of the carbon cluster ...
... energy of C60X , and C70X , two contributions to the total energy of the chemically modified system are taken into account : the contribution associated with a change in electronic energy at the initial geometry of the carbon cluster ...
Trang 251
... energy corrections , we can con- clude that the lowest energy species are the D2 frag- ments for the C2 ring , D2 + C2 for C3 , and two C2 spe- cies for C4 ; the energy difference in this series decreases , because new bonds appear ...
... energy corrections , we can con- clude that the lowest energy species are the D2 frag- ments for the C2 ring , D2 + C2 for C3 , and two C2 spe- cies for C4 ; the energy difference in this series decreases , because new bonds appear ...
Trang 252
... energy barrier to the C4-2C2 trans- formation , we scanned the potential energy surface of the C4 ring along the 1-3 and 5-7 bonds ( Fig . 3 , TS2 ) . In this case , the total energy of the system increases by almost 50 kcal / mol and ...
... energy barrier to the C4-2C2 trans- formation , we scanned the potential energy surface of the C4 ring along the 1-3 and 5-7 bonds ( Fig . 3 , TS2 ) . In this case , the total energy of the system increases by almost 50 kcal / mol and ...
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Reactions of Tetrabutylammonium Octahydrotriborate with Diborane | 5 |
Interaction of Nickel Oxide with Chlorine | 16 |
A New Ammonium Oxofluorotitanate | 28 |
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