4.6 Article

Accurate quantum chemical energies for the interaction of hydrocarbons with oxide surfaces: CH4/MgO(001)

相关参考文献

注意:仅列出部分参考文献,下载原文获取全部文献信息。
Article Chemistry, Physical

Second Order Local Moller-Plesset Perturbation Theory for Periodic Systems: the CRYSCOR Code

Denis Usvyat et al.

ZEITSCHRIFT FUR PHYSIKALISCHE CHEMIE-INTERNATIONAL JOURNAL OF RESEARCH IN PHYSICAL CHEMISTRY & CHEMICAL PHYSICS (2010)

Article Materials Science, Multidisciplinary

Calculation of properties of crystalline lithium hydride using correlated wave function theory

S. J. Nolan et al.

PHYSICAL REVIEW B (2009)

Article Chemistry, Multidisciplinary

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

Bartolomeo Civalleri et al.

CRYSTENGCOMM (2008)

Article Materials Science, Multidisciplinary

Density functional investigation of the adsorption of a methane monolayer on an MgO(100) surface

Michael L. Drummond et al.

PHYSICAL REVIEW B (2006)