Comparative study of the PBE and SCAN functionals: The particular case of alkali metals

Péter Kovács; Fabien Tran; Peter Blaha; Georg K. H. Madsen

doi:10.1063/1.5092748

Comparative study of the PBE and SCAN functionals: The particular case of alkali metals

The Journal of Chemical Physics ◽

10.1063/1.5092748 ◽

2019 ◽

Vol 150 (16) ◽

pp. 164119 ◽

Cited By ~ 8

Author(s):

Péter Kovács ◽

Fabien Tran ◽

Peter Blaha ◽

Georg K. H. Madsen

Keyword(s):

Comparative Study ◽

Alkali Metals

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A comparative study of electrical resistivity of liquid alkali metals

Computational Materials Science ◽

10.1016/j.commatsci.2006.01.001 ◽

2006 ◽

Vol 37 (4) ◽

pp. 618-623 ◽

Cited By ~ 9

Author(s):

Ş. Korkmaz ◽

S.D. Korkmaz

Keyword(s):

Electrical Resistivity ◽

Comparative Study ◽

Alkali Metals ◽

Liquid Alkali Metals

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A comparative study of certain properties of electrons and the ions of the alkali metals

Journal of Chemical Education ◽

10.1021/ed006p623 ◽

1929 ◽

Vol 6 (4) ◽

pp. 623 ◽

Cited By ~ 1

Author(s):

C. H. Kunsman

Keyword(s):

Comparative Study ◽

Alkali Metals

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A Comparative Study of Band Structure Energy of Li, Na and K Liquid Alkali Metals

Material Science Research India ◽

10.13005/msri/010111 ◽

2004 ◽

Vol 1 (1) ◽

pp. 69-72

Author(s):

Rajiv Narayan Prasad ◽

R. S. Roy

Keyword(s):

Band Structure ◽

Comparative Study ◽

Alkali Metals ◽

Band Structure Energy ◽

Liquid Alkali Metals

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Phosphido-Borane and Phosphido-Bis(Borane) Complexes of the Alkali Metals, a Comparative Study

Inorganic Chemistry ◽

10.1021/ic302205b ◽

2013 ◽

Vol 52 (3) ◽

pp. 1466-1475 ◽

Cited By ~ 14

Author(s):

Keith Izod ◽

James M. Watson ◽

William Clegg ◽

Ross W. Harrington

Keyword(s):

Comparative Study ◽

Alkali Metals

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Comparative study of structure determination schemes: Application to liquid alkali metals

Physical Review B ◽

10.1103/physrevb.55.12099 ◽

1997 ◽

Vol 55 (18) ◽

pp. 12099-12107 ◽

Cited By ~ 19

Author(s):

J.-F. Wax ◽

N. Jakse ◽

J.-L. Bretonnet

Keyword(s):

Comparative Study ◽

Structure Determination ◽

Alkali Metals ◽

Liquid Alkali Metals

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A comparative study on the catalytic performances of alkali metals-loaded KAlSiO4 for biodiesel production from sesame oil

Fuel ◽

10.1016/j.fuel.2021.120145 ◽

2021 ◽

Vol 291 ◽

pp. 120145

Author(s):

Maliheh Mahloujifar ◽

Mohammadreza Mansournia

Keyword(s):

Comparative Study ◽

Alkali Metals ◽

Sesame Oil ◽

Biodiesel Production ◽

Catalytic Performances

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Alkali metals on Si(100)2 × 1: comparative study of the surface electronic structures for Li, Na and K adsorption

Surface Science ◽

10.1016/0039-6028(93)90835-8 ◽

1993 ◽

Vol 287-288 ◽

pp. 524-528 ◽

Cited By ~ 48

Author(s):

L.S.O. Johansson ◽

B. Reihl

Keyword(s):

Comparative Study ◽

Electronic Structures ◽

Alkali Metals

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Comparative study of hydrogen electrosorption from alkali metals electrolytes and hydrogen sorption from gas phase in AB5 alloy

Electrochimica Acta ◽

10.1016/j.electacta.2017.08.193 ◽

2017 ◽

Vol 252 ◽

pp. 381-386 ◽

Cited By ~ 6

Author(s):

M. Karwowska ◽

K.J. Fijalkowski ◽

A. Czerwiński

Keyword(s):

Comparative Study ◽

Gas Phase ◽

Alkali Metals ◽

Hydrogen Sorption ◽

Hydrogen Electrosorption ◽

Ab5 Alloy

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Pyrolysis characteristics and gaseous product release properties of different livestock and poultry manures: Comparative study regarding influence of inherent alkali metals

Journal of Analytical and Applied Pyrolysis ◽

10.1016/j.jaap.2018.06.024 ◽

2018 ◽

Vol 134 ◽

pp. 343-350 ◽

Cited By ~ 11

Author(s):

Simiao Zhou ◽

Lujia Han ◽

Guangqun Huang ◽

Zengling Yang ◽

Jizhen Peng

Keyword(s):

Comparative Study ◽

Alkali Metals ◽

Gaseous Product ◽

Product Release ◽

Pyrolysis Characteristics

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A comparative study of thermal pressure coefficients of liquid alkali metals using equation of state and dense fluid theory

Physics and Chemistry of Liquids ◽

10.1080/00319104.2018.1509971 ◽

2018 ◽

Vol 57 (5) ◽

pp. 629-639

Author(s):

Hossein Nikoofard ◽

Fatemeh Bakhtiari

Keyword(s):

Equation Of State ◽

Comparative Study ◽

Alkali Metals ◽

Thermal Pressure ◽

Pressure Coefficients ◽

Dense Fluid ◽

Fluid Theory ◽

Liquid Alkali Metals

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