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Equilibrium Geometries, Stabilities, and Electronic Properties of the Bimetallic M(2)-doped Au(n) (M = Ag, Cu; n=1-10) Clusters: Comparison with Pure Gold Clusters

2011, 115(5): 569-576.

[摘要](183)

Determination of Structures, Stabilities, and Electronic Properties for Bimetallic Cesium-Doped Gold Clusters: A Density Functional Theory Study

2011, 115(33): 9273-9281.

[摘要](180)

Geometries, Stabilities, and Electronic Properties of Small Anion Mg-Doped Gold Clusters: A Density Functional Theory Study

2010, 114(43): 11691-11698.

[摘要](178)

First-Principles Study of High-Pressure Behavior of Solid beta-HMX

2010, 114(2): 1082-1092.

[摘要](167)

Structural, Electronic, and Magnetic Properties of Gold Cluster Anions Doped with Zinc: Au(n)Zn(-) (2 <= n <= 10)

2009, 113(51): 14022-14028.

[摘要](203)

Local lattice structure study of the octahedral (CrO6)(9-) clusters for Cr3+ ion doping in a variety of oxide crystals by simulating the corresponding EPR and optical spectra

2008, 112(4): 737-743.

[摘要](170)

Tetragonal distortion of structural defects in Cr3+ doped in several perovskites calculated from the EPR and optical data: A complete energy matrix study

2008, 112(31): 7280-7285.

[摘要](136)

Nature of the ferromagnetic behavior and possible occurrence of the ferrimagnetic phase transition in genuinely organic molecule-based assemblages with an S=1 and S=1/2 antiferromagnetic alternating spin chain: A Green's function approach

2008, 112(27): 6205-6210.

[摘要](179)

A ULFC method for d(4)(D(2d)) ions and a study of the spin singlets contributions to zero-field splitting of Cr(2+) ions in zinc sulfide crystals

2007, 111(43): 11110-11115.

[摘要](260)

Theoretical investigation of electron paramagnetic resonance spectra and local structure distortion for Mn2+ ions in CaCO3 : Mn2+ system: A simple model for Mn2+ ions in a trigonal ligand field

2007, 111(14): 2783-2789.

[摘要](296)

EPR theoretical study of local molecular structure and thermal expansion coefficient for octahedral Mn2+ centers in zinc fluosilicate

Local lattice structure study of the octahedral (CrO6)(9-) clusters for Cr3+ ion doping in a variety of oxide crystals by simulating the corresponding EPR and optical spectra

A ULFC method for d(4)(D(2d)) ions and a study of the spin singlets contributions to zero-field splitting of Cr(2+) ions in zinc sulfide crystals

Comparative studies of hyperhomodesmotic reactions for the calculation of standard heats of formation of fullerenes

Determination of Structures, Stabilities, and Electronic Properties for Bimetallic Cesium-Doped Gold Clusters: A Density Functional Theory Study

Equilibrium Geometries, Stabilities, and Electronic Properties of the Bimetallic M(2)-doped Au(n) (M = Ag, Cu; n=1-10) Clusters: Comparison with Pure Gold Clusters

Quantum-admixture model of high-spin <-> Low-spin transition for ferrous complex molecules

Quantum-admixture model of high-spin <-> low-spin transition for Fe(III) complex molecules

Geometries, Stabilities, and Electronic Properties of Small Anion Mg-Doped Gold Clusters: A Density Functional Theory Study

Nature of the ferromagnetic behavior and possible occurrence of the ferrimagnetic phase transition in genuinely organic molecule-based assemblages with an S=1 and S=1/2 antiferromagnetic alternating spin chain: A Green's function approach

Structural, Electronic, and Magnetic Properties of Gold Cluster Anions Doped with Zinc: Au(n)Zn(-) (2 <= n <= 10)

Characterization of electronic transition energies and trigonal distortion of the (FeO6)(9-) coordination complex in the Al2O3 : Fe3+ system: A simple method for transition-metal ions in a trigonal ligand field

First-Principles Study of High-Pressure Behavior of Solid beta-HMX

Theoretical investigation of electron paramagnetic resonance spectra and local structure distortion for Mn2+ ions in CaCO3 : Mn2+ system: A simple model for Mn2+ ions in a trigonal ligand field

Tetragonal distortion of structural defects in Cr3+ doped in several perovskites calculated from the EPR and optical data: A complete energy matrix study

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Journal of Physical Chemistry A 纸刊购买

Journal of Physical Chemistry A 纸刊购买

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Determination of Structures, Stabilities, and Electronic Properties for Bimetallic Cesium-Doped Gold Clusters: A Density Functional Theory Study

2011, 115(33):9273-9281.

[摘要](180)

Journal of Physical Chemistry A 纸刊购买

Journal of Physical Chemistry A 纸刊购买

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