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Your selections:
Thermochemical stabilities of giant fullerenes using density functional tight binding theory and isodesmic-type reactions
- Waite, Simone L., Karton, Amir, Chan, Bun, Page, Alister J.
Chiral-selective etching effects on carbon nanotube growth at edge carbon atoms
- Kimura, Ryuto, Hijikata, Yuh, Eveleens, Clothilde A., Page, Alister J., Irle, Stephan
Density functional tight binding-based free energy simulations in the DFTB plus program
- Mitchell, Izaac, Aradi, Balint, Page, Alister J.
Surface electronic structure calculations using the MBJLDA potential: application to Si(111) 2 3 1
- Smith, Phillip V., Radny, Marian W., Shah, G. Ali
Stochastic structure determination for conformationally flexible heterogenous molecular clusters: application to ionic liquids
- Addicoat, Matthew A., Fukuoka, Syou, Page, Alister J., Irle, Stephan
Rate constants for hydrogen abstraction reactions by the hydroperoxyl radical from methanol, ethenol, acetaldehyde, toluene, and phenol
- Altarawneh, Mohammednoor, Al-Muhtaseb, Ala'a H., Dlugogorski, Bogdan Z., Kennedy, Eric M., Mackie, John C.
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