Semiconducting Clathrates Meet Gas Hydrates: Xe24[Sn136]

Tin Clathrates with the Type II Structure

(2013) Marion C. Schäfer et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Synthesis of Group IV Clathrates for Photovoltaics

(2013) Aaron D. Martinez et al.   IEEE Journal of Photovoltaics

Synthesis and optical band gaps of alloyed Si–Ge type II clathrates

(2013) Lauryn L. Baranowski et al.   Journal of Materials Chemistry C

Cryscor: a program for the post-Hartree–Fock treatment of periodic systems

(2012) Cesare Pisani et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Geometrical frustration of an argon monolayer adsorbed on the MgO (100) surface: An accurate periodicab initiostudy

(2012) Denis Usvyat et al.   PHYSICAL REVIEW B

Simple Approach for Selective Crystal Growth of Intermetallic Clathrates

(2011) Stevce Stefanoski et al.   CHEMISTRY OF MATERIALS

Effect of the damping function in dispersion corrected density functional theory

(2011) Stefan Grimme et al.   JOURNAL OF COMPUTATIONAL CHEMISTRY

Structural Principles of Semiconducting Group 14 Clathrate Frameworks

(2010) Antti J. Karttunen et al.   INORGANIC CHEMISTRY

Periodic local Møller–Plesset second order perturbation theory method applied to molecular crystals: Study of solid NH3 and CO2 using extended basis sets

(2010) Lorenzo Maschio et al.   JOURNAL OF CHEMICAL PHYSICS

A consistent and accurate ab initio parametrization of density functional dispersion correction (DFT-D) for the 94 elements H-Pu

(2010) Stefan Grimme et al.   JOURNAL OF CHEMICAL PHYSICS

On the accuracy of DFT-SAPT, MP2, SCS-MP2, MP2C, and DFT+Disp methods for the interaction energies of endohedral complexes of the C60fullerene with a rare gas atom

(2010) Andreas Hesselmann et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Thermoelectric clathrates of type I

(2009) Mogens Christensen et al.   DALTON TRANSACTIONS

Consistent van der Waals Radii for the Whole Main Group

(2009) Manjeera Mantina et al.   JOURNAL OF PHYSICAL CHEMISTRY A

Fitting of local densities in periodic systems

(2008) Lorenzo Maschio et al.   PHYSICAL REVIEW B

B3LYP augmented with an empirical dispersion term (B3LYP-D*) as applied to molecular crystals

(2007) Bartolomeo Civalleri et al.   CRYSTENGCOMM