Enhancing Gas Adsorption and Separation Capacity through Ligand Functionalization of Microporous Metal-Organic Framework Structures
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
Published in Chemistry : a European journal (26.04.2011)
Published in Chemistry : a European journal (26.04.2011)
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Journal Article
Binding energies in benzene dimers: Nonlocal density functional calculations
Puzder, Aaron, Dion, Maxime, Langreth, David C
Published in The Journal of chemical physics (28.04.2006)
Published in The Journal of chemical physics (28.04.2006)
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Journal Article
A Density Functional Theory Study of the Benzene−Water Complex
Li, Shen, Cooper, Valentino R, Thonhauser, T, Puzder, Aaron, Langreth, David C
Published in The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory (25.09.2008)
Published in The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory (25.09.2008)
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Journal Article
Interaction energies of monosubstituted benzene dimers via nonlocal density functional theory
Thonhauser, T, Puzder, Aaron, Langreth, David C
Published in The Journal of chemical physics (28.04.2006)
Published in The Journal of chemical physics (28.04.2006)
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Investigation of Exchange Energy Density Functional Accuracy for Interacting Molecules
Murray, Éamonn D, Lee, Kyuho, Langreth, David C
Published in Journal of chemical theory and computation (13.10.2009)
Published in Journal of chemical theory and computation (13.10.2009)
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Journal Article
Stacking Interactions and the Twist of DNA
Cooper, Valentino R, Thonhauser, Timo, Puzder, Aaron, Schröder, Elsebeth, Lundqvist, Bengt I, Langreth, David C
Published in Journal of the American Chemical Society (30.01.2008)
Published in Journal of the American Chemical Society (30.01.2008)
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Journal Article
Stacking Interactions and DNA Intercalation
Li, Shen, Cooper, Valentino R, Thonhauser, T, Lundqvist, Bengt I, Langreth, David C
Published in The journal of physical chemistry. B (13.08.2009)
Published in The journal of physical chemistry. B (13.08.2009)
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Molecular Hydrogen “Pairing” Interaction in a Metal Organic Framework System with Unsaturated Metal Centers (MOF-74)
Nijem, Nour, Veyan, Jean-François, Kong, Lingzhu, Wu, Haohan, Zhao, Yonggang, Li, Jing, Langreth, David C, Chabal, Yves J
Published in Journal of the American Chemical Society (27.10.2010)
Published in Journal of the American Chemical Society (27.10.2010)
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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
Nijem, Nour, Kong, Lingzhu, Zhao, Yonggang, Wu, Haohan, Li, Jing, Langreth, David C, Chabal, Yves J
Published in Journal of the American Chemical Society (06.04.2011)
Published in Journal of the American Chemical Society (06.04.2011)
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A van der Waals density functional study of adenine on graphene: single-molecular adsorption and overlayer binding
Berland, Kristian, Chakarova-Käck, Svetla D, Cooper, Valentino R, Langreth, David C, Schröder, Elsebeth
Published in Journal of physics. Condensed matter (06.04.2011)
Published in Journal of physics. Condensed matter (06.04.2011)
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Predicting CH/π Interactions with Nonlocal Density Functional Theory
Hooper, Joe, Cooper, Valentino R., Thonhauser, Timo, Romero, Nichols A., Zerilli, Frank, Langreth, David C.
Published in Chemphyschem (21.04.2008)
Published in Chemphyschem (21.04.2008)
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Multielectron effects in the interaction of F − ions with Ag(110)
Ustaze, S, Guillemot, L, Esaulov, V.A, Nordlander, P, Langreth, David C
Published in Surface science (09.10.1998)
Published in Surface science (09.10.1998)
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Journal Article
ℝPM3: A Multifunctional Microporous MOF with Recyclable Framework and High H 2 Binding Energy
Lan, Anjian, Li, Kunhao, Wu, Haohan, Kong, Lingzhu, Nijem, Nour, Olson, David H., Emge, Thomas J., Chabal, Yves J., Langreth, David C., Hong, Maochun, Li, Jing
Published in Inorganic chemistry (03.08.2009)
Published in Inorganic chemistry (03.08.2009)
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Journal Article
Spectroscopic Evidence for the Influence of the Benzene Sites on Tightly Bound H 2 in Metal−Organic Frameworks with Unsaturated Metal Centers: MOF-74-Cobalt
Nijem, Nour, Kong, Lingzhu, Zhao, Yonggang, Wu, Haohan, Li, Jing, Langreth, David C., Chabal, Yves J.
Published in Journal of the American Chemical Society (06.04.2011)
Published in Journal of the American Chemical Society (06.04.2011)
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