Evaluation of 27Al and 51V Electric Field Gradients and the Crystal Structure for Aluminum Orthovanadate (AlVO4) by Density Functional Theory Calculations

Michael Ryan Hansen; Georg Kent Hellerup Madsen; Hans Jørgen Jakobsen; Jørgen Bengaard Skibsted

Evaluation of ²⁷Al and ⁵¹V Electric Field Gradients and the Crystal Structure for Aluminum Orthovanadate (AlVO₄) by Density Functional Theory Calculations

Michael Ryan Hansen, Georg Kent Hellerup Madsen, Hans Jørgen Jakobsen, Jørgen Bengaard Skibsted

Research output: Contribution to journal/Conference contribution in journal/Contribution to newspaper › Journal article › Research › peer-review

Original language	English
Journal	J. Phys. Chem. B.
Volume	110
Pages (from-to)	5975-5983
Publication status	Published - 2006

Cite this

@article{580912e0c64e11dbbee902004c4f4f50,

title = "Evaluation of 27Al and 51V Electric Field Gradients and the Crystal Structure for Aluminum Orthovanadate (AlVO4) by Density Functional Theory Calculations",

author = "Hansen, {Michael Ryan} and Madsen, {Georg Kent Hellerup} and Jakobsen, {Hans J{\o}rgen} and Skibsted, {J{\o}rgen Bengaard}",

year = "2006",

language = "English",

volume = "110",

pages = "5975--5983",

journal = "J. Phys. Chem. B.",

publisher = "American Chemical Society",

}

Evaluation of ²⁷Al and ⁵¹V Electric Field Gradients and the Crystal Structure for Aluminum Orthovanadate (AlVO₄) by Density Functional Theory Calculations. / Hansen, Michael Ryan; Madsen, Georg Kent Hellerup; Jakobsen, Hans Jørgen et al.
In: J. Phys. Chem. B., Vol. 110, 2006, p. 5975-5983.

Research output: Contribution to journal/Conference contribution in journal/Contribution to newspaper › Journal article › Research › peer-review

TY - JOUR

T1 - Evaluation of 27Al and 51V Electric Field Gradients and the Crystal Structure for Aluminum Orthovanadate (AlVO4) by Density Functional Theory Calculations

AU - Hansen, Michael Ryan

AU - Madsen, Georg Kent Hellerup

AU - Jakobsen, Hans Jørgen

AU - Skibsted, Jørgen Bengaard

PY - 2006

Y1 - 2006

M3 - Journal article

VL - 110

SP - 5975

EP - 5983

JO - J. Phys. Chem. B.

JF - J. Phys. Chem. B.

ER -