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Enhancing Gas Adsorption and Separation Capacity through Ligand Functionalization of Microporous Metal-Organic Framework Structures

Chemistry : a European journal, 2011-04, Vol.17 (18), p.5101-5109

2011

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Application of van der Waals density functional to an extended system: adsorption of benzene and naphthalene on graphite

Physical review letters, 2006-04, Vol.96 (14), p.146107-146107, Article 146107

2006

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Binding energies in benzene dimers: Nonlocal density functional calculations

The Journal of chemical physics, 2006-04, Vol.124 (16), p.164105-164105

2006

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A Density Functional Theory Study of the Benzene−Water Complex

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2008-09, Vol.112 (38), p.9031-9036

2008

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Higher-accuracy van der Waals density functional

Physical review. B, Condensed matter and materials physics, 2010-08, Vol.82 (8), Article 081101

2010

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Van der Waals density functional: Self-consistent potential and the nature of the van der Waals bond

Physical review. B, Condensed matter and materials physics, 2007-09, Vol.76 (12), Article 125112

2007

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Investigation of Exchange Energy Density Functional Accuracy for Interacting Molecules

Journal of chemical theory and computation, 2009-10, Vol.5 (10), p.2754-2762

2009

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Stacking Interactions and the Twist of DNA

Journal of the American Chemical Society, 2008-01, Vol.130 (4), p.1304-1308

2008

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Stacking Interactions and DNA Intercalation

The journal of physical chemistry. B, 2009-08, Vol.113 (32), p.11166-11172

2009

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An application of the van der Waals density functional: Hydrogen bonding and stacking interactions between nucleobases

The Journal of chemical physics, 2008-05, Vol.128 (20), p.204102-204102-4

2008

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Out-of-equilibrium kondo effect in double quantum dots

Physical review letters, 2000-08, Vol.85 (9), p.1946-1949

2000

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Molecular Hydrogen “Pairing” Interaction in a Metal Organic Framework System with Unsaturated Metal Centers (MOF-74)

Journal of the American Chemical Society, 2010-10, Vol.132 (42), p.14834-14848

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

Journal of the American Chemical Society, 2011-04, Vol.133 (13), p.4782-4784

2011

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Comment on "Nonlocal van der waals density functional made simple"

Physical review letters, 2010-03, Vol.104 (9), p.099303; author reply 099304, Article 099303

2010

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A van der Waals density functional study of adenine on graphene: single-molecular adsorption and overlayer binding

Journal of physics. Condensed matter, 2011-04, Vol.23 (13), p.135001-8

2011

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Structure and energetics of a ferroelectric organic crystal of phenazine and chloranilic acid

Physical review. B, Condensed matter and materials physics, 2012-09, Vol.86 (10), Article 104102

2012

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Predicting CH/π Interactions with Nonlocal Density Functional Theory

Chemphyschem, 2008-04, Vol.9 (6), p.891-895

2008

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Transient currents and universal time scales for a fully time-dependent quantum dot in the Kondo regime

Physical review. B, Condensed matter and materials physics, 2005-04, Vol.71 (16), p.165321.1-165321.11, Article 165321

2005

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Adsorption of n -butane on Cu(100), Cu(111), Au(111), and Pt(111): Van der Waals density-functional study

Physical review. B, Condensed matter and materials physics, 2010-10, Vol.82 (15), Article 155461

2010

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Unified treatment of asymptotic van der Waals forces

Physical review. B, Condensed matter, 1999-02, Vol.59 (7), p.4708-4713

1999

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Long range interactions in nanoscale science

Reviews of modern physics, 2010-06, Vol.82 (2), p.1887-1944

2010

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Towards a working density-functional theory for polymers: First-principles determination of the polyethylene crystal structure

Physical review. B, Condensed matter and materials physics, 2007-09, Vol.76 (10), Article 100201

2007

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A Spin Dependent Version of the Langreth-Mehl Exchange-Correlation Functional

Physica scripta, 1985-10, Vol.32 (4), p.391-396

1985

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Energetics and Dynamics of H 2 Adsorbed in a Nanoporous Material at Low Temperature

Physical review letters, 2009-08, Vol.103 (9), Article 096103

2009

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ℝPM3: A Multifunctional Microporous MOF with Recyclable Framework and High H 2 Binding Energy

Inorganic chemistry, 2009-08, Vol.48 (15), p.7165-7173

2009

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Enhancing Gas Adsorption and Separation Capacity through Ligand Functionalization of Microporous Metal-Organic Framework Structures

Application of van der Waals density functional to an extended system: adsorption of benzene and naphthalene on graphite

Binding energies in benzene dimers: Nonlocal density functional calculations

A Density Functional Theory Study of the Benzene−Water Complex

Higher-accuracy van der Waals density functional

Van der Waals density functional: Self-consistent potential and the nature of the van der Waals bond

Investigation of Exchange Energy Density Functional Accuracy for Interacting Molecules

Stacking Interactions and the Twist of DNA

Stacking Interactions and DNA Intercalation

An application of the van der Waals density functional: Hydrogen bonding and stacking interactions between nucleobases

Out-of-equilibrium kondo effect in double quantum dots

Molecular Hydrogen “Pairing” Interaction in a Metal Organic Framework System with Unsaturated Metal Centers (MOF-74)

Spectroscopic Evidence for the Influence of the Benzene Sites on Tightly Bound H2 in Metal−Organic Frameworks with Unsaturated Metal Centers: MOF-74-Cobalt

Comment on "Nonlocal van der waals density functional made simple"

A van der Waals density functional study of adenine on graphene: single-molecular adsorption and overlayer binding

Structure and energetics of a ferroelectric organic crystal of phenazine and chloranilic acid

Predicting CH/π Interactions with Nonlocal Density Functional Theory

Transient currents and universal time scales for a fully time-dependent quantum dot in the Kondo regime

Adsorption of n -butane on Cu(100), Cu(111), Au(111), and Pt(111): Van der Waals density-functional study

Unified treatment of asymptotic van der Waals forces

Long range interactions in nanoscale science

Towards a working density-functional theory for polymers: First-principles determination of the polyethylene crystal structure

A Spin Dependent Version of the Langreth-Mehl Exchange-Correlation Functional

Energetics and Dynamics of H 2 Adsorbed in a Nanoporous Material at Low Temperature

ℝPM3: A Multifunctional Microporous MOF with Recyclable Framework and High H 2 Binding Energy

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