Density functional study of bromine-doped lithium clusters

Computational and Theoretical Chemistry ◽

10.1016/j.comptc.2013.09.010 ◽

2013 ◽

Vol 1023 ◽

pp. 46-50 ◽

Cited By ~ 6

Author(s):

Şükrü Şentürk ◽

Arslan Ünal ◽

Orhan Murat Kalfa

Keyword(s):

Density Functional ◽

Functional Study ◽

Density Functional Study ◽

Lithium Clusters

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Density functional study of the structural and electronic properties of aluminium-lithium clusters

Journal of Computational Methods in Sciences and Engineering ◽

10.3233/jcm-2007-75-603 ◽

2008 ◽

Vol 7 (5-6) ◽

pp. 355-372

Author(s):

J.I. Martínez ◽

A. Castro ◽

J.A. Alonso

Keyword(s):

Electronic Properties ◽

Density Functional ◽

Functional Study ◽

Density Functional Study ◽

Structural And Electronic Properties ◽

Lithium Clusters

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Toward analyzing some neutral and cationic boron-lithium clusters (B x Li y x = 2-6; y = 1, 2) as effective hydrogen storage materials: A conceptual density functional study

International Journal of Quantum Chemistry ◽

10.1002/qua.23055 ◽

2011 ◽

Vol 112 (3) ◽

pp. 695-702 ◽

Cited By ~ 16

Author(s):

Sateesh Bandaru ◽

Arindam Chakraborty ◽

Santanab Giri ◽

Pratim K. Chattaraj

Keyword(s):

Hydrogen Storage ◽

Density Functional ◽

Functional Study ◽

Hydrogen Storage Materials ◽

Density Functional Study ◽

Storage Materials ◽

Lithium Clusters ◽

Effective Hydrogen

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Density functional study of structure and bonding in lithium clusters Lin and their oxides LinO

The Journal of Chemical Physics ◽

10.1063/1.473498 ◽

1997 ◽

Vol 106 (11) ◽

pp. 4566-4574 ◽

Cited By ~ 93

Author(s):

R. O. Jones ◽

A. I. Lichtenstein ◽

J. Hutter

Keyword(s):

Density Functional ◽

Functional Study ◽

Density Functional Study ◽

Structure And Bonding ◽

Lithium Clusters

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Combinedab initio and density functional study of ring chain tautomerism in benzofurazan-1-oxide

Journal of Computational Chemistry ◽

10.1002/jcc.5 ◽

1996 ◽

Vol 17 (16) ◽

pp. 1848-1856 ◽

Cited By ~ 2

Author(s):

Guntram Rauhut

Keyword(s):

Density Functional ◽

Functional Study ◽

Density Functional Study

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Density Functional Study of the First-Row Transition-Metal Monoxides*

Zeitschrift für Physikalische Chemie ◽

10.1524/zpch.1996.1.1.039 ◽

1996 ◽

Vol 1 (1) ◽

pp. 39-49

Author(s):

J. Piechota ◽

M. Suffczyński

Keyword(s):

Transition Metal ◽

Density Functional ◽

Functional Study ◽

Density Functional Study

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Predicted structures and electronic properties of gallium-indium clusters GamInn–m (n = 4, 6, 8 and m < n): A density functional study

Журнал структурной химии ◽

10.26902/jsc20180501 ◽

2018 ◽

Vol 59 (5) ◽

Keyword(s):

Electronic Properties ◽

Density Functional ◽

Functional Study ◽

Density Functional Study

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Electronic structure of oxide, peroxide, and superoxide clusters of the 3d elements: A comparative density functional study

The Journal of Chemical Physics ◽

10.1063/1.2831583 ◽

2008 ◽

Vol 128 (9) ◽

pp. 094307 ◽

Cited By ~ 51

Author(s):

Ellie L. Uzunova ◽

Hans Mikosch ◽

Georgi St. Nikolov

Keyword(s):

Electronic Structure ◽

Density Functional ◽

Functional Study ◽

Density Functional Study ◽

3D Elements

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Density functional study of non-isothermal hard sphere fluids

Molecular Physics ◽

10.1080/00268976.2021.1875077 ◽

2021 ◽

pp. e1875077

Author(s):

Wenhan Jia ◽

Isamu Kusaka

Keyword(s):

Hard Sphere ◽

Density Functional ◽

Functional Study ◽

Density Functional Study

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Charge transport properties in functionalized triphenylene and coronene derivatives: a density functional study using different functionals

Molecular Crystals and Liquid Crystals ◽

10.1080/15421406.2020.1870201 ◽

2021 ◽

pp. 1-15

Author(s):

Ziran Chen ◽

Yujin Zhang ◽

Yuan Li ◽

Wenhao Yu

Keyword(s):

Charge Transport ◽

Transport Properties ◽

Density Functional ◽

Functional Study ◽

Density Functional Study

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Density Functional Study of Metal-to-Ligand Charge Transfer and Hole-Hopping in Ruthenium(II) Complexes with Alkyl-Substituted Bipyridine Ligands

ACS Omega ◽

10.1021/acsomega.0c01199 ◽

2020 ◽

Author(s):

Salmahaminati ◽

Minori Abe ◽

Indra Purnama ◽

Jacob Yan Mulyana ◽

Masahiko Hada

Keyword(s):

Charge Transfer ◽

Density Functional ◽

Functional Study ◽

Density Functional Study ◽

Ligand Charge Transfer

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