David C. Langreth - Publications, H-index & Citations

David C. Langreth

rutgers university system

62H指数

200论文数

2.6W被引数

收录论文 30

发表时间

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

PHYSICAL REVIEW B

IF3.7

2012-09-05

OAAI

Lee, Kyuho; Kolb, Brian; Thonhauser, T.; Vanderbilt, David; Langreth, David C.

Analyzing the frequency shift of physiadsorbed CO2 in metal organic framework materials

PHYSICAL REVIEW B

IF3.7

2012-02-16

OAAI

Yao, Yanpeng; Nijem, Nour; Li, Jing; Chabal, Yves J.; Langreth, David C.; Thonhauser, T.

Evaluation of a density functional with account of van der Waals forces using experimental data of H2 physisorption on Cu(111)

PHYSICAL REVIEW B

IF3.7

2011-11-17

OAAI

Lee, Kyuho; Kelkkanen, Andre K.; Berland, Kristian; Andersson, Stig; Langreth, David C.; Schroder, Elsebeth; Lundqvist, Bengt I.; Hyldgaard, Per

Ab initio energetics and kinetics study of H2 and CH4 in the SI clathrate hydrate

PHYSICAL REVIEW B

IF3.7

2011-10-17

OAAI

Li, Qi; Kolb, Brian; Roman-Perez, Guillermo; Soler, Jose M.; Yndurain, Felix; Kong, Lingzhu; Langreth, D. C.; Thonhauser, T.

Understanding the Preferential Adsorption of CO2 over N2 in a Flexible Metal-Organic Framework

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

IF15.6

2011-07-21

114

PREAI

Nijem, Nour; Thissen, Peter; Yao, Yanpeng; Longo, Roberto C.; Roodenko, Katy; Wu, Haohan; Zhao, Yonggang; Cho, Kyeongjae; Li, Jing; Langreth, David C.; Chabal, Yves J.

Adsorption of Alq3 on Mg(001) surface: Role of chemical bonding, molecular distortion, and van der Waals interaction

PHYSICAL REVIEW B

IF3.7

2011-06-13

PREAI

Yanagisawa, Susumu; Hamada, Ikutaro; Lee, Kyuho; Langreth, David C.; Morikawa, Yoshitada

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

CHEMISTRY-A EUROPEAN JOURNAL

IF3.7

2011-03-23

204

PREAI

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

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

IF15.6

2011-03-14

PREAI

Nijem, Nour; Kong, Lingzhu; Zhao, Yonggang; Wu, Haohan; Li, Jing; Langreth, David C.; Chabal, Yves J.

First-principles approach to rotational-vibrational frequencies and infrared intensity for H2 adsorbed in nanoporous materials

PHYSICAL REVIEW B

IF3.7

2011-03-03

OAAI

Kong, Lingzhu; Chabal, Yves J.; Langreth, David C.

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

PHYSICAL REVIEW B

IF3.7

2010-10-29

PREAI

Lee, Kyuho; Morikawa, Yoshitada; Langreth, David C.

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

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

IF15.6

2010-10-06

PREAI

Nijem, Nour; Veyan, Jean-Francois; Kong, Lingzhu; Wu, Haohan; Zhao, Yonggang; Li, Jing; Langreth, David C.; Chabal, Yves J.

Higher-accuracy van der Waals density functional 高精度范德华密度泛函

PHYSICAL REVIEW B

IF3.7

2010-08-04

2.5K

OAAI

Lee, Kyuho; Murray, Eamonn D.; Kong, Lingzhu; Lundqvist, Bengt I.; Langreth, David C.

Computing dispersion interactions in density functional theory

proceedings of the

IF0

2010-02-01

OAAI

Cooper, V. R.; Kong, L.; Langreth, D. C.

Interaction of Molecular Hydrogen with Microporous Metal Organic Framework Materials at Room Temperature

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

IF15.6

2010-01-13

PREAI

Nijem, Nour; Veyan, Jean-Francois; Kong, Lingzhu; Li, Kunhao; Pramanik, Sanhita; Zhao, Yonggang; Li, Jing; Langreth, David; Chabal, Yves J.

Investigation of Exchange Energy Density Functional Accuracy for Interacting Molecules

JOURNAL OF CHEMICAL THEORY AND COMPUTATION

IF5.5

2009-09-09

300

PREAI

Murray, Eamonn D.; Lee, Kyuho; Langreth, David C.

RPM3: A Multifunctional Microporous MOF with Recyclable Framework and High H2 Binding Energy

INORGANIC CHEMISTRY

IF4.7

2009-07-02

123

PREAI

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

Theoretical and experimental analysis of H2 binding in a prototypical metal-organic framework material

PHYSICAL REVIEW B

IF3.7

2009-02-24

OAAI

Kong, Lingzhu; Cooper, Valentino R.; Nijem, Nour; Li, Kunhao; Li, Jing; Chabal, Yves J.; Langreth, David C.

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

JOURNAL OF CHEMICAL PHYSICS

IF3.1

2008-05-23

PREAI

Cooper, Valentino R.; Thonhauser, T.; Langreth, David C.