Electronic structure of coinage metal clusters M20 (M = Cu, Ag, Au) from density functional calculations and the phenomenological shell model

Chemical Physics Letters ◽

10.1016/j.cplett.2018.05.077 ◽

2018 ◽

Vol 706 ◽

pp. 127-132 ◽

Cited By ~ 3

Author(s):

Pham Vu Nhat ◽

Truong Ba Tai

Keyword(s):

Electronic Structure ◽

Shell Model ◽

Density Functional Calculations ◽

Density Functional ◽

Metal Clusters ◽

Coinage Metal

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Electronic Structure of Naked, Ligated and Supported Transition Metal Clusters from‘First Principles’ Density Functional Calculations

Metal Clusters in Chemistry ◽

10.1002/9783527618316.ch4f ◽

2008 ◽

pp. 1392-1433 ◽

Cited By ~ 3

Author(s):

Gianfranco Pacchioni ◽

Sven Krger ◽

Notker Rsch

Keyword(s):

Electronic Structure ◽

Transition Metal ◽

Density Functional Calculations ◽

Density Functional ◽

Metal Clusters ◽

Transition Metal Clusters

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Relativistic scalar and spin–orbit density functional calculations of the electronic structure, NICS index and ELF function of the [Re2(CO)8(μ-BiPh)2] and [Re2(CO)8(μ-BiPh2)2] clusters

Polyhedron ◽

10.1016/j.poly.2010.12.022 ◽

2011 ◽

Vol 30 (5) ◽

pp. 846-850 ◽

Cited By ~ 8

Author(s):

Eduardo Schott ◽

Ximena Zárate ◽

Ramiro Arratia-Pérez

Keyword(s):

Electronic Structure ◽

Density Functional Calculations ◽

Density Functional ◽

Spin Orbit

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Elastic stability and electronic structure of tantalum boride investigated via first-principles density functional calculations

Journal of Physics and Chemistry of Solids ◽

10.1016/j.jpcs.2012.05.007 ◽

2012 ◽

Vol 73 (10) ◽

pp. 1197-1202 ◽

Cited By ~ 10

Author(s):

Hai-Hua Chen ◽

Yan Bi ◽

Yan Cheng ◽

Guangfu Ji ◽

Lingcang Cai

Keyword(s):

Electronic Structure ◽

First Principles ◽

Density Functional Calculations ◽

Density Functional ◽

Elastic Stability

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An electronic structure study of O-terminated zigzag BN nanotubes: Density functional calculations of the quadrupole coupling constants

Solid State Communications ◽

10.1016/j.ssc.2010.04.012 ◽

2010 ◽

Vol 150 (27-28) ◽

pp. 1238-1240 ◽

Cited By ~ 10

Author(s):

Maryam Mirzaei ◽

Mahmoud Mirzaei

Keyword(s):

Electronic Structure ◽

Density Functional Calculations ◽

Density Functional ◽

Structure Study ◽

Coupling Constants ◽

Quadrupole Coupling ◽

Bn Nanotubes

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'Perfect Match'—Combining Density Functional Calculations with Spectroscopic Characterization of Transition Metal Clusters

Australian Journal of Chemistry ◽

10.1071/ch05048 ◽

2005 ◽

Vol 58 (7) ◽

pp. 564 ◽

Cited By ~ 1

Author(s):

Magdalene A. Addicoat

Keyword(s):

Transition Metal ◽

Density Functional Calculations ◽

Density Functional ◽

Metal Clusters ◽

Perfect Match ◽

Spectroscopic Characterization ◽

Transition Metal Clusters

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Molecular structure, electronic structure and vibrational spectra of metal-free, N,N′-dideuterio, and magnesium tetrakis(thiadiazole)porphyrazines: Density functional calculations

Journal of Molecular Structure THEOCHEM ◽

10.1016/j.theochem.2005.08.029 ◽

2005 ◽

Vol 755 (1-3) ◽

pp. 179-186 ◽

Cited By ~ 8

Author(s):

Xianxi Zhang ◽

Zhongqiang Liu ◽

Ning Sheng ◽

Jianzhuang Jiang

Keyword(s):

Molecular Structure ◽

Electronic Structure ◽

Vibrational Spectra ◽

Density Functional Calculations ◽

Density Functional ◽

Metal Free

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Effect of skeleton conformation on the electronic structure of 50% Ti substituted polysilanes from density functional calculations

Synthetic Metals ◽

10.1016/j.synthmet.2015.01.013 ◽

2015 ◽

Vol 202 ◽

pp. 98-102

Author(s):

Asanee Somdee ◽

Malliga Suewattana ◽

Asawin Sinsarp ◽

Withoon Chunwachirasiri

Keyword(s):

Electronic Structure ◽

Density Functional Calculations ◽

Density Functional

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Triple-domain effects on the electronic structure of Pb/Si(111)-(×): Density-functional calculations

Surface Science ◽

10.1016/j.susc.2010.12.015 ◽

2011 ◽

Vol 605 (5-6) ◽

pp. 551-554 ◽

Cited By ~ 10

Author(s):

Sung Chul Jung ◽

Myung Ho Kang

Keyword(s):

Electronic Structure ◽

Density Functional Calculations ◽

Density Functional

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Electronic Structure of ReO3Me by Variable Photon Energy Photoelectron Spectroscopy, Absorption Spectroscopy and Density Functional Calculations

Inorganic Chemistry ◽

10.1021/ic020547+ ◽

2003 ◽

Vol 42 (6) ◽

pp. 1908-1918 ◽

Cited By ~ 5

Author(s):

Monica de Simone ◽

Marcello Coreno ◽

Jennifer C. Green ◽

Sean McGrady ◽

Helen Pritchard

Keyword(s):

Electronic Structure ◽

Photon Energy ◽

Absorption Spectroscopy ◽

Photoelectron Spectroscopy ◽

Density Functional Calculations ◽

Density Functional

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Density-functional calculations of atomic and molecular adsorptions on 55-atom metal clusters: Comparison with (111) surfaces

Chemical Physics Letters ◽

10.1016/j.cplett.2005.02.018 ◽

2005 ◽

Vol 405 (1-3) ◽

pp. 79-83 ◽

Cited By ~ 29

Author(s):

Yasuharu Okamoto

Keyword(s):

Density Functional Calculations ◽

Density Functional ◽

Metal Clusters

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Electronic structure of coinage metal clusters M20 (M = Cu, Ag, Au) from density functional calculations and the phenomenological shell model

Electronic Structure of Naked, Ligated and Supported Transition Metal Clusters from‘First Principles’ Density Functional Calculations

Relativistic scalar and spin–orbit density functional calculations of the electronic structure, NICS index and ELF function of the [Re2(CO)8(μ-BiPh)2] and [Re2(CO)8(μ-BiPh2)2] clusters

Elastic stability and electronic structure of tantalum boride investigated via first-principles density functional calculations

An electronic structure study of O-terminated zigzag BN nanotubes: Density functional calculations of the quadrupole coupling constants

'Perfect Match'—Combining Density Functional Calculations with Spectroscopic Characterization of Transition Metal Clusters

Molecular structure, electronic structure and vibrational spectra of metal-free, N,N′-dideuterio, and magnesium tetrakis(thiadiazole)porphyrazines: Density functional calculations

Effect of skeleton conformation on the electronic structure of 50% Ti substituted polysilanes from density functional calculations

Triple-domain effects on the electronic structure of Pb/Si(111)-(×): Density-functional calculations

Electronic Structure of ReO3Me by Variable Photon Energy Photoelectron Spectroscopy, Absorption Spectroscopy and Density Functional Calculations

Density-functional calculations of atomic and molecular adsorptions on 55-atom metal clusters: Comparison with (111) surfaces

Electronic structure of coinage metal clusters M20 (M = Cu, Ag, Au) from density functional calculations and the phenomenological shell model