Density functional study of the structural, electronic, elastic and thermodynamic properties of ACRu3 (A = V, Nb and Ta) compounds

Intermetallics ◽

10.1016/j.intermet.2010.11.002 ◽

2011 ◽

Vol 19 (4) ◽

pp. 476-485 ◽

Author(s):

K. Haddadi ◽

A. Bouhemadou ◽

L. Louail ◽

M. Maamache

Keyword(s):

Thermodynamic Properties ◽

Density Functional ◽

Functional Study ◽

Density Functional Study

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Density-functional study of the thermodynamic properties and the pressure–temperature phase diagram of Ti

Physical Review B ◽

10.1103/physrevb.80.104116 ◽

2009 ◽

Vol 80 (10) ◽

Author(s):

Zhi-Gang Mei ◽

Shun-Li Shang ◽

Yi Wang ◽

Zi-Kui Liu

Keyword(s):

Phase Diagram ◽

Thermodynamic Properties ◽

Density Functional ◽

Functional Study ◽

Temperature Phase ◽

Density Functional Study ◽

Temperature Phase Diagram

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Density functional study of elastic, mechanical and thermodynamic properties of MgCu with a CsCl-type structure

Journal of Magnesium and Alloys ◽

10.1016/j.jma.2013.05.001 ◽

2013 ◽

Vol 1 (2) ◽

pp. 128-133 ◽

Author(s):

S. Boucetta ◽

F. Zegrar

Keyword(s):

Thermodynamic Properties ◽

Density Functional ◽

Type Structure ◽

Functional Study ◽

Density Functional Study ◽

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A density functional study of chemical, magnetic and thermodynamic properties of small palladium clusters

Molecular Simulation ◽

10.1080/08927022.2013.861903 ◽

2014 ◽

Vol 40 (15) ◽

pp. 1255-1264 ◽

Author(s):

Ngangbam Bedamani Singh ◽

Utpal Sarkar

Keyword(s):

Thermodynamic Properties ◽

Density Functional ◽

Functional Study ◽

Density Functional Study ◽

Palladium Clusters

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Hybrid density functional study on lattice vibration, thermodynamic properties, and chemical bonding of plutonium monocarbide

Chinese Physics B ◽

10.1088/1674-1056/25/6/067106 ◽

2016 ◽

Vol 25 (6) ◽

pp. 067106 ◽

Author(s):

Rong Yang ◽

Bin Tang ◽

Tao Gao ◽

BingYun Ao

Keyword(s):

Thermodynamic Properties ◽

Chemical Bonding ◽

Density Functional ◽

Lattice Vibration ◽

Functional Study ◽

Density Functional Study ◽

Hybrid Density Functional

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Density functional study of the thermodynamic properties and phase diagram of the magnesium hydride

Calphad ◽

10.1016/j.calphad.2017.11.001 ◽

2018 ◽

Vol 60 ◽

pp. 7-15 ◽

Author(s):

Hasan S. AlMatrouk ◽

Viorel Chihaia ◽

Valentin Alexiev

Keyword(s):

Phase Diagram ◽

Thermodynamic Properties ◽

Density Functional ◽

Magnesium Hydride ◽

Functional Study ◽

Density Functional Study

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Density functional study of vibrational and thermodynamic properties of ringwoodite

Journal of Geophysical Research Atmospheres ◽

10.1029/2006jb004282 ◽

2006 ◽

Vol 111 (B12) ◽

pp. n/a-n/a ◽

Author(s):

Yonggang G. Yu ◽

Renata M. Wentzcovitch

Keyword(s):

Thermodynamic Properties ◽

Density Functional ◽

Functional Study ◽

Density Functional Study

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Density functional study on the structures and thermodynamic properties of small ions around polyanionic DNA

Physical Review E ◽

10.1103/physreve.70.011912 ◽

2004 ◽

Vol 70 (1) ◽

Author(s):

Ke Wang ◽

Yang-Xin Yu ◽

Guang-Hua Gao

Keyword(s):

Thermodynamic Properties ◽

Density Functional ◽

Functional Study ◽

Density Functional Study

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The Density Functional Study of Structural, Electronic, Magnetic and Thermodynamic Properties of XFeSi (X = Gd, Tb, La) and GdRuSi Compounds

Journal of Superconductivity and Novel Magnetism ◽

10.1007/s10948-017-3976-x ◽

2017 ◽

Vol 30 (8) ◽

pp. 2143-2158 ◽

Author(s):

Shahrzad Talakesh ◽

Zahra Nourbakhsh

Keyword(s):

Thermodynamic Properties ◽

Density Functional ◽

Functional Study ◽

Density Functional Study

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Vibrational and thermodynamic properties of wadsleyite: A density functional study

Journal of Geophysical Research Atmospheres ◽

10.1029/2007jb005036 ◽

2007 ◽

Vol 112 (B12) ◽

Author(s):

Zhongqing Wu ◽

Renata M. Wentzcovitch

Keyword(s):

Thermodynamic Properties ◽

Density Functional ◽

Functional Study ◽

Density Functional Study

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Density functional study on the structural and thermodynamic properties of aqueous DNA-electrolyte solution in the framework of cell model

The Journal of Chemical Physics ◽

10.1063/1.2918342 ◽

2008 ◽

Vol 128 (18) ◽

pp. 185101 ◽

Author(s):

Ke Wang ◽

Yang-Xin Yu ◽

Guang-Hua Gao

Keyword(s):

Thermodynamic Properties ◽

Electrolyte Solution ◽

Density Functional ◽

Functional Study ◽

Density Functional Study

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