Publications by authors named "David C Langreth"

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Understanding the preferential adsorption of CO2 over N2 in a flexible metal-organic framework.
Nour Nijem, Peter Thissen, Yanpeng Yao, Roberto C Longo, Katy Roodenko, David C Langreth

J Am Chem Soc· August 2011

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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.
Nour Nijem, Lingzhu Kong, Yonggang Zhao, Haohan Wu, Jing Li, David C Langreth

J Am Chem Soc· April 2011

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

J Phys Condens Matter· April 2011

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Enhancing gas adsorption and separation capacity through ligand functionalization of microporous metal-organic framework structures.
Yonggang Zhao, Haohan Wu, Thomas J Emge, Qihan Gong, Nour Nijem, David C Langreth

Chemistry· April 2011

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Molecular hydrogen "pairing" interaction in a metal organic framework system with unsaturated metal centers (MOF-74).
Nour Nijem, Jean-François Veyan, Lingzhu Kong, Haohan Wu, Yonggang Zhao, David C Langreth

J Am Chem Soc· October 2010

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

Phys Rev Lett· March 2010

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

J Chem Theory Comput· October 2009

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Stacking interactions and DNA intercalation.
Shen Li, Valentino R Cooper, T Thonhauser, Bengt I Lundqvist, David C Langreth

J Phys Chem B· August 2009

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RPM3: a multifunctional microporous MOF with recyclable framework and high H2 binding energy.
Anjian Lan, Kunhao Li, Haohan Wu, Lingzhu Kong, Nour Nijem, David C Langreth

Inorg Chem· August 2009

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Energetics and dynamics of H(2) adsorbed in a nanoporous material at low temperature.
Lingzhu Kong, Guillermo Román-Pérez, José M Soler, David C Langreth

Phys Rev Lett· August 2009

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A density functional theory study of the benzene-water complex.
Shen Li, Valentino R Cooper, T Thonhauser, Aaron Puzder, David C Langreth

J Phys Chem A· September 2008

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

J Chem Phys· May 2008

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Predicting C-H/pi interactions with nonlocal density functional theory.
Joe Hooper, Valentino R Cooper, Timo Thonhauser, Nichols A Romero, Frank Zerilli, David C Langreth

Chemphyschem· April 2008

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Stacking interactions and the twist of DNA.
Valentino R Cooper, Timo Thonhauser, Aaron Puzder, Elsebeth Schröder, Bengt I Lundqvist, David C Langreth

J Am Chem Soc· January 2008

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

J Chem Phys· April 2006

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

J Chem Phys· April 2006

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

Phys Rev Lett· April 2006

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