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- W2154758838 abstract "Calculations were done on H2 inside of C60, mostly at the level of Hartree−Fock with a basis set 6-31G(d,p). They show a negligible distortion of the fullerene cage. To a high degree of accuracy, one can treat the cage as being spherically symmetric. There is a small torque on the H2 when it is off center, because of its anisotropy." @default.
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- W2154758838 date "2001-06-20" @default.
- W2154758838 modified "2023-10-18" @default.
- W2154758838 title "Does H<sub>2</sub> Rotate Freely Inside Fullerenes?" @default.
- W2154758838 cites W1998250773 @default.
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- W2154758838 doi "https://doi.org/10.1021/jp011054d" @default.
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