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(2014) Zachary A. Piazza et al.   Nature Communications

Appropriate description of intermolecular interactions in the methane hydrates: An assessment of DFT methods

(2012) Yuan Liu et al.   JOURNAL OF COMPUTATIONAL CHEMISTRY

Transition-metal dispersion on carbon-doped boron nitride nanostructures: Applications for high-capacity hydrogen storage

(2012) Ming Chen et al.   PHYSICAL REVIEW B

Radial deformation-induced high-capacity hydrogen storage in Li-coated zigzag boron nanotubes

(2011) Hui An et al.   PHYSICAL REVIEW B

Accuracy of density functional theory methods for weakly bonded systems: The case of dihydrogen binding on metal centers

(2010) Y. Y. Sun et al.   PHYSICAL REVIEW B

Potential of AlN Nanostructures as Hydrogen Storage Materials

(2009) Qian Wang et al.   ACS Nano

DFT Study of Planar Boron Sheets: A New Template for Hydrogen Storage

(2009) Süleyman Er et al.   Journal of Physical Chemistry C

Ca-Coated Boron Fullerenes and Nanotubes as Superior Hydrogen Storage Materials

(2009) Ming Li et al.   NANO LETTERS

Stable calcium adsorbates on carbon nanostructures: Applications for high-capacity hydrogen storage

(2009) Xiaobao Yang et al.   PHYSICAL REVIEW B

Ionization-induced enhancement of hydrogen storage in metalizedC2H4andC5H5molecules

(2009) C. S. Liu et al.   PHYSICAL REVIEW B

Accurate Molecular Van Der Waals Interactions from Ground-State Electron Density and Free-Atom Reference Data

(2009) Alexandre Tkatchenko et al.   PHYSICAL REVIEW LETTERS

High-capacity hydrogen storage by metallized graphene

(2008) C. Ataca et al.   APPLIED PHYSICS LETTERS

Alkali-Metal-Doped B80 as High-Capacity Hydrogen Storage Media

(2008) Yuanchang Li et al.   Journal of Physical Chemistry C

Optimization of metal dispersion in doped graphitic materials for hydrogen storage

(2008) Gyubong Kim et al.   PHYSICAL REVIEW B

Ab initioprediction of stable boron sheets and boron nanotubes: Structure, stability, and electronic properties

(2008) Xiaobao Yang et al.   PHYSICAL REVIEW B

Calcium as the Superior Coating Metal in Functionalization of Carbon Fullerenes for High-Capacity Hydrogen Storage

(2008) Mina Yoon et al.   PHYSICAL REVIEW LETTERS