Density Functional Theory

26

SIAMAM
2010

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Spatially Localized Structures in Diblock Copolymer Mixtures

13 years 9 months ago

Above the critical temperature for the order-disorder transition, diblock copolymer melts have been observed to exhibit localized structures that exist within the homogeneous mixtu...

Karl B. Glasner

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34

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PC
2000

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New advances in chemistry and materials science with CPMD and parallel computing

13 years 11 months ago

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A short overview is presented of the density functional theory and molecular dynamics (DFT

Wanda Andreoni, Alessandro Curioni

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25

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JCC
2000

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Stabilization in neutral bicyclic sulfoxide compounds

13 years 11 months ago

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: Density Functional Theory (DFT) calculations at the B3LYP/6-31+G

Redouan El-Bergmi, José Antonio Dobado Jime...

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