Effect of van der Waals interactions on the structural and elastic properties of black phosphorus

Coverage-Dependent Structural Evolution in the Interaction of NO2 with Au{111}

(2012) Tianfu Zhang et al.   Journal of Physical Chemistry C

Spin crossover transition of Fe(phen)2(NCS)2: periodic dispersion-corrected density-functional study

(2012) Tomáš Bučko et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Squeezing lone pairs: TheA17 toA7 pressure-induced phase transition in black phosphorus

(2012) Salah Eddine Boulfelfel et al.   PHYSICAL REVIEW B

Structural, electronic, bonding, and elastic properties of NH3BH3: A density functional study

(2011) Ch. Bheema Lingam et al.   JOURNAL OF COMPUTATIONAL CHEMISTRY

Hydrogen Bonds and van der Waals Forces in Ice at Ambient and High Pressures

(2011) Biswajit Santra et al.   PHYSICAL REVIEW LETTERS

Ab initiostudies on atomic and electronic structures of black phosphorus

(2010) Yanlan Du et al.   JOURNAL OF APPLIED PHYSICS

Improved Description of the Structure of Molecular and Layered Crystals: Ab Initio DFT Calculations with van der Waals Corrections

(2010) Tomáš Bučko et al.   JOURNAL OF PHYSICAL CHEMISTRY A

Compressibility of cubic white, orthorhombic black, rhombohedral black, and simple cubic black phosphorus

(2010) S. M. Clark et al.   PHYSICAL REVIEW B

Stacking and Registry Effects in Layered Materials: The Case of Hexagonal Boron Nitride

(2010) Noa Marom et al.   PHYSICAL REVIEW LETTERS

The influence of exact exchange corrections in van der Waals layered narrow bandgap black phosphorus

(2009) Ø Prytz et al.   JOURNAL OF PHYSICS-CONDENSED MATTER

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

(2009) Alexandre Tkatchenko et al.   PHYSICAL REVIEW LETTERS