Density Functional Investigation of the Freezing of Simple Liquid Metals*

Zeitschrift für Physikalische Chemie ◽

10.1524/zpch.1988.156.part_2.425 ◽

1988 ◽

Vol 156 (Part_2) ◽

pp. 425-430 ◽

Author(s):

F. IGLÓI ◽

G. KAHL ◽

J. HAFNER

Keyword(s):

Density Functional ◽

Liquid Metals ◽

Simple Liquid ◽

Functional Investigation

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Density-functional theory of the surface tension of simple liquid metals

Physical Review B ◽

10.1103/physrevb.28.4374 ◽

1983 ◽

Vol 28 (8) ◽

pp. 4374-4386 ◽

Author(s):

D. M. Wood ◽

D. Stroud

Keyword(s):

Density Functional Theory ◽

Surface Tension ◽

Density Functional ◽

Liquid Metals ◽

Simple Liquid ◽

Functional Theory

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The freezing of simple liquid metals: density functional approach to the structural stability of the crystalline phase

Journal of Physics C Solid State Physics ◽

10.1088/0022-3719/20/12/008 ◽

1987 ◽

Vol 20 (12) ◽

pp. 1803-1813 ◽

Author(s):

F Igloi ◽

G Kahl ◽

J Hafner

Keyword(s):

Structural Stability ◽

Crystalline Phase ◽

Density Functional ◽

Liquid Metals ◽

Functional Approach ◽

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A density-functional approach to the electronic structure of dissolved impurities in simple liquid metals

Journal of Physics F Metal Physics ◽

10.1088/0305-4608/13/8/010 ◽

1983 ◽

Vol 13 (8) ◽

pp. 1645-1655 ◽

Author(s):

R H Fairlie ◽

D A Greenwood

Keyword(s):

Electronic Structure ◽

Density Functional ◽

Liquid Metals ◽

Functional Approach ◽

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Density functional investigation of cytosine on platinum decorated graphene

10.1063/5.0043626 ◽

2021 ◽

Author(s):

Shamsan Ali ◽

Baliram Lone

Keyword(s):

Density Functional ◽

Functional Investigation

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Density Functional Investigation of the Conversion of Furfural to Furfuryl Alcohol by Reaction with i-Propanol over UiO-66 Metal–Organic Framework

Inorganic Chemistry ◽

10.1021/acs.inorgchem.0c03764 ◽

2021 ◽

Author(s):

Jarinya Sittiwong ◽

Sininat Boonmark ◽

Watinee Nunthakitgoson ◽

Thana Maihom ◽

Chularat Wattanakit ◽

...

Keyword(s):

Furfuryl Alcohol ◽

Density Functional ◽

Metal Organic Framework ◽

Metal Organic ◽

Functional Investigation ◽

Organic Framework

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Density Functional Investigation on Li2MnO3

Chemistry of Materials ◽

10.1021/cm3027219 ◽

2012 ◽

Vol 24 (21) ◽

pp. 4242-4251 ◽

Author(s):

Ruijuan Xiao ◽

Hong Li ◽

Liquan Chen

Keyword(s):

Density Functional ◽

Functional Investigation

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Density functional investigation of the mechanism of the selective catalytic reduction of NO by NH3 over vanadium oxide model clusters

International Journal of Quantum Chemistry ◽

10.1002/(sici)1097-461x(1997)61:4<683::aid-qua10>3.0.co;2-7 ◽

1997 ◽

Vol 61 (4) ◽

pp. 683-688 ◽

Author(s):

F. Gilardoni ◽

J. Weber ◽

A. Baiker

Keyword(s):

Vanadium Oxide ◽

Selective Catalytic Reduction ◽

Density Functional ◽

Catalytic Reduction ◽

Reduction Of No ◽

Functional Investigation

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A density-functional investigation of aluminium(III)–citrate complexes

Physical Chemistry Chemical Physics ◽

10.1039/b008987g ◽

2001 ◽

Vol 3 (11) ◽

pp. 1979-1985 ◽

Author(s):

Ade´lia J. A. Aquino ◽

Daniel Tunega ◽

Georg Haberhauer ◽

Martin H. Gerzabek ◽

Hans Lischka

Keyword(s):

Density Functional ◽

Functional Investigation

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Triberyllium cluster sandwich complexes: A density functional investigation

10.1016/j.poly.2016.01.025 ◽

2016 ◽

Vol 107 ◽

pp. 107-112 ◽

Author(s):

Robert W. Zoellner

Keyword(s):

Density Functional ◽

Sandwich Complexes ◽

Functional Investigation

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Density Functional Investigation of Metal−Metal Interactions in Mixed-Valence d2d3(Cr, Mo, W) and d3d4(Mn, Tc, Re) Face-Shared [M2Cl9]2-Systems

Inorganic Chemistry ◽

10.1021/ic049503m ◽

2004 ◽

Vol 43 (21) ◽

pp. 6734-6744 ◽

Author(s):

Germán Cavigliasso ◽

Peter Comba ◽

Robert Stranger

Keyword(s):

Density Functional ◽

Mixed Valence ◽

Metal Interactions ◽

Metal Metal ◽

Functional Investigation

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