4.6 Article

Experimental confirmation of the stability and chemical bonding analysis of the high-pressure phases Ca-I, II, and III at pressures up to 52 GPa

Related references

Note: Only part of the references are listed.
Article Chemistry, Multidisciplinary

Electron localizability for hexagonal element structures

A. I. Baranov et al.

JOURNAL OF COMPUTATIONAL CHEMISTRY (2008)

Article Materials Science, Multidisciplinary

Structures and superconducting properties of the high-pressure IV and V phases of calcium from first principles

Yansun Yao et al.

PHYSICAL REVIEW B (2008)

Article Materials Science, Multidisciplinary

Theoretical study of the structure of calcium in phases IV and V via ab initio metadynamics simulation

Takahiro Ishikawa et al.

PHYSICAL REVIEW B (2008)

Article Physics, Multidisciplinary

Crystal structures of calcium IV and V under high pressure

Hiroshi Fujihisa et al.

PHYSICAL REVIEW LETTERS (2008)

Article Physics, Condensed Matter

Electronic structures, lattice dynamics, and electron-phonon coupling of simple cubic Ca under pressure

Guoying Gao et al.

SOLID STATE COMMUNICATIONS (2008)

Article Chemistry, Physical

Bonding indicators from electron pair density functionals

Miroslav Kohout

FARADAY DISCUSSIONS (2007)

Article Physics, Multidisciplinary

Superconductivity of Ca exceeding 25 K at megabar pressures

Takahiro Yabuuchi et al.

JOURNAL OF THE PHYSICAL SOCIETY OF JAPAN (2006)

Article Chemistry, Physical

Atomic shells from the electron localizability in momentum space

M Kohout et al.

INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY (2006)

Article Physics, Condensed Matter

Computational study of Ca, Sr and Ba under pressure

F. Jona et al.

JOURNAL OF PHYSICS-CONDENSED MATTER (2006)

Article Chemistry, Physical

Electron localization function in full-potential representation for crystalline materials

A Ormeci et al.

JOURNAL OF PHYSICAL CHEMISTRY A (2006)

Review Chemistry, Multidisciplinary

High-pressure structures and phase transformations in elemental metals

Malcolm I. McMahon et al.

CHEMICAL SOCIETY REVIEWS (2006)

Article Physics, Multidisciplinary

New high-pressure phase of calcium

T Yabuuchi et al.

JOURNAL OF THE PHYSICAL SOCIETY OF JAPAN (2005)

Article Chemistry, Physical

A measure of electron localizability

M Kohout

INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY (2004)

Article Crystallography

Metallic high-pressure modifications of main group elements

U Schwarz

ZEITSCHRIFT FUR KRISTALLOGRAPHIE (2004)

Article Chemistry, Physical

Electron localization function for transition-metal compounds

M Kohout et al.

THEORETICAL CHEMISTRY ACCOUNTS (2002)

Article Chemistry, Physical

Direct space representation of the metallic bond

B Silvi et al.

JOURNAL OF PHYSICAL CHEMISTRY A (2000)