Enhancing Gas Adsorption and Separation Capacity through Ligand Functionalization of Microporous Metal-Organic Framework Structures von Zhao, Yonggang, Wu, Haohan, Emge, Thomas J., Gong, Qihan, Nijem, Nour, Chabal, Yves J., Kong, Lingzhu, Langreth, David C., Liu, Hui, Zeng, Heping, Li, Jing

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Application of van der Waals density functional to an extended system: adsorption of benzene and naphthalene on graphite von Chakarova-Käck, Svetla D, Schröder, Elsebeth, Lundqvist, Bengt I, Langreth, David C

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Binding energies in benzene dimers: Nonlocal density functional calculations von Puzder, Aaron, Dion, Maxime, Langreth, David C

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Interaction energies of monosubstituted benzene dimers via nonlocal density functional theory von Thonhauser, T, Puzder, Aaron, Langreth, David C

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A Density Functional Theory Study of the Benzene−Water Complex von Li, Shen, Cooper, Valentino R, Thonhauser, T, Puzder, Aaron, Langreth, David C

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Higher-accuracy van der Waals density functional von Lee, Kyuho, Murray, Éamonn D., Kong, Lingzhu, Lundqvist, Bengt I., Langreth, David C.

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Van der Waals density functional: Self-consistent potential and the nature of the van der Waals bond von Thonhauser, T., Cooper, Valentino R., Li, Shen, Puzder, Aaron, Hyldgaard, Per, Langreth, David C.

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Investigation of Exchange Energy Density Functional Accuracy for Interacting Molecules von Murray, Éamonn D, Lee, Kyuho, Langreth, David C

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Stacking Interactions and the Twist of DNA von Cooper, Valentino R, Thonhauser, Timo, Puzder, Aaron, Schröder, Elsebeth, Lundqvist, Bengt I, Langreth, David C

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Stacking Interactions and DNA Intercalation von Li, Shen, Cooper, Valentino R, Thonhauser, T, Lundqvist, Bengt I, Langreth, David C

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An application of the van der Waals density functional: Hydrogen bonding and stacking interactions between nucleobases von Cooper, Valentino R., Thonhauser, T., Langreth, David C.

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Molecular Hydrogen “Pairing” Interaction in a Metal Organic Framework System with Unsaturated Metal Centers (MOF-74) von Nijem, Nour, Veyan, Jean-François, Kong, Lingzhu, Wu, Haohan, Zhao, Yonggang, Li, Jing, Langreth, David C, Chabal, Yves J

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Out-of-equilibrium kondo effect in double quantum dots von Aguado, R, Langreth, DC

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Spectroscopic Evidence for the Influence of the Benzene Sites on Tightly Bound H2 in Metal−Organic Frameworks with Unsaturated Metal Centers: MOF-74-Cobalt von Nijem, Nour, Kong, Lingzhu, Zhao, Yonggang, Wu, Haohan, Li, Jing, Langreth, David C, Chabal, Yves J

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Comment on "Nonlocal van der waals density functional made simple" von Langreth, David C, Lundqvist, Bengt I

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A van der Waals density functional study of adenine on graphene: single-molecular adsorption and overlayer binding von Berland, Kristian, Chakarova-Käck, Svetla D, Cooper, Valentino R, Langreth, David C, Schröder, Elsebeth

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Structure and energetics of a ferroelectric organic crystal of phenazine and chloranilic acid von Lee, Kyuho, Kolb, Brian, Thonhauser, T., Vanderbilt, David, Langreth, David C.

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Predicting CH/π Interactions with Nonlocal Density Functional Theory von Hooper, Joe, Cooper, Valentino R., Thonhauser, Timo, Romero, Nichols A., Zerilli, Frank, Langreth, David C.

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Transient currents and universal time scales for a fully time-dependent quantum dot in the Kondo regime von PLIHAL, Martin, LANGRETH, David C, NORDLANDER, Peter

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Adsorption of n -butane on Cu(100), Cu(111), Au(111), and Pt(111): Van der Waals density-functional study von Lee, Kyuho, Morikawa, Yoshitada, Langreth, David C.

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