Spin density and manganese electronic structure in phthalocyaninatomanganese(II)

Journal of the Chemical Society Dalton Transactions ◽

10.1039/dt9810001837 ◽

1981 ◽

pp. 1837 ◽

Author(s):

Brian N. Figgis ◽

Geoffrey A. Williams ◽

J. Bruce Forsyth ◽

Ronald Mason

Keyword(s):

Electronic Structure ◽

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Ground-state electronic structure calculations of the multiple spin-density-wave state in γ-Fe

Physical Review B ◽

10.1103/physrevb.65.134418 ◽

2002 ◽

Vol 65 (13) ◽

Author(s):

Y. Kakehashi ◽

O. Jepsen ◽

N. Kimura

Keyword(s):

Electronic Structure ◽

Spin Density ◽

Ground State ◽

Density Wave ◽

Spin Density Wave ◽

Electronic Structure Calculations ◽

Structure Calculations

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Spin‐Density Distribution and Electronic Structure in Fluorides with the Perovskite Structure (ABF3, where A=Na, Rb; B=Mn, Ni, Co)

Journal of Applied Physics ◽

10.1063/1.1709573 ◽

1967 ◽

Vol 38 (3) ◽

pp. 1269-1271 ◽

Author(s):

G. A. Smolenskii ◽

M. P. Petrov ◽

R. V. Pisarev

Keyword(s):

Electronic Structure ◽

Density Distribution ◽

Spin Density ◽

Perovskite Structure ◽

Spin Density Distribution

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Calculation of the Electronic Structure of Antiferromagnetic Chromium with a Sinusoidal Spin Density Wave by the Method of Dirac Function Linear Combination

Properties of Complex Inorganic Solids ◽

10.1007/978-1-4615-5943-6_18 ◽

1997 ◽

pp. 139-149

Author(s):

V. Yu. Trubitsin ◽

V. P. Shirokovskii

Keyword(s):

Electronic Structure ◽

Linear Combination ◽

Spin Density ◽

Density Wave ◽

Spin Density Wave ◽

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Ground state calculation of the electronic structure and magnetic properties of Co2VAl: a local spin density approximation with exchange correlation potential study

Physica Scripta ◽

10.1088/0031-8949/86/04/045702 ◽

2012 ◽

Vol 86 (4) ◽

pp. 045702 ◽

Author(s):

D P Rai ◽

Sandeep ◽

A Shankar ◽

M P Ghimire ◽

R K Thapa

Keyword(s):

Magnetic Properties ◽

Electronic Structure ◽

Spin Density ◽

Ground State ◽

Local Spin Density Approximation ◽

Density Approximation ◽

Exchange Correlation ◽

Exchange Correlation Potential ◽

Correlation Potential

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Inductive and Conjugative S→C Polarizations in “Trithiocarbenium Ions” [C(SH)3]+and [C(SH)3]•,2+. Potential Energy Surface Analysis, Electronic Structure Motif, and Spin Density Distribution

Journal of the American Chemical Society ◽

10.1021/ja960944h ◽

1996 ◽

Vol 118 (46) ◽

pp. 11617-11628 ◽

Author(s):

Rainer Glaser ◽

Godwin Sik-Cheung Choy ◽

Grace Shiahuy Chen ◽

Hansjörg Grützmacher

Keyword(s):

Electronic Structure ◽

Potential Energy ◽

Potential Energy Surface ◽

Density Distribution ◽

Spin Density ◽

Surface Analysis ◽

Energy Surface ◽

Spin Density Distribution

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Electronic Structure of Trigonal-Planar Transition-Metal−Imido Complexes: Spin-State Energetics, Spin-Density Profiles, and the Remarkable Performance of the OLYP Functional

Journal of Chemical Theory and Computation ◽

10.1021/ct600337j ◽

2007 ◽

Vol 3 (3) ◽

pp. 689-702 ◽

Author(s):

Jeanet Conradie ◽

Abhik Ghosh

Keyword(s):

Electronic Structure ◽

Transition Metal ◽

Spin Density ◽

Density Profiles ◽

Imido Complexes ◽

Planar Transition

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Electronic Structure and Unusual Exchange Splitting in the Spin-Density-Wave State of theBaFe2As2Parent Compound of Iron-Based Superconductors

Physical Review Letters ◽

10.1103/physrevlett.102.107002 ◽

2009 ◽

Vol 102 (10) ◽

Author(s):

L. X. Yang ◽

Y. Zhang ◽

H. W. Ou ◽

J. F. Zhao ◽

D. W. Shen ◽

...

Keyword(s):

Electronic Structure ◽

Spin Density ◽

Density Wave ◽

Spin Density Wave ◽

Exchange Splitting ◽

Iron Based Superconductors ◽

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ChemInform Abstract: SPIN DENSITY AND COBALT ELECTRONIC STRUCTURE IN PHTHALOCYANINATOCOBALT(II): A POLARIZED NEUTRON DIFFRACTION STUDY

Chemischer Informationsdienst ◽

10.1002/chin.198123060 ◽

1981 ◽

Vol 12 (23) ◽

Author(s):

G. A. WILLIAMS ◽

B. N. FIGGIS ◽

R. MASON

Keyword(s):

Electronic Structure ◽

Neutron Diffraction ◽

Diffraction Study ◽

Spin Density ◽

Neutron Diffraction Study ◽

Polarized Neutron

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Electronic structure of cerium in the self-interaction corrected local spin density approximation

Physical Review Letters ◽

10.1103/physrevlett.72.1248 ◽

1994 ◽

Vol 72 (8) ◽

pp. 1248-1251 ◽

Author(s):

A. Svane

Keyword(s):

Electronic Structure ◽

Spin Density ◽

The Self ◽

Local Spin Density Approximation ◽

Density Approximation ◽

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Electronic structure of theFe2molecule in the local-spin-density approximation

Physical Review A ◽

10.1103/physreva.38.1111 ◽

1988 ◽

Vol 38 (3) ◽

pp. 1111-1119 ◽

Author(s):

S. Dhar ◽

N. R. Kestner

Keyword(s):

Electronic Structure ◽

Spin Density ◽

Local Spin Density Approximation ◽

Density Approximation ◽

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