Density functional study of carbon clusters C2n (2⩽n⩽16). I. Structure and bonding in the neutral clusters

The Journal of Chemical Physics ◽

10.1063/1.478414 ◽

1999 ◽

Vol 110 (11) ◽

pp. 5189-5200 ◽

Author(s):

R. O. Jones

Keyword(s):

Density Functional ◽

Functional Study ◽

Carbon Clusters ◽

Density Functional Study ◽

Structure And Bonding

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Microscopic structure and bonding at the Pd/SrTiO3 (001) Interface an ab-initio local-density-functional study

Integrated Ferroelectrics ◽

10.1080/10584580108215697 ◽

2001 ◽

Vol 32 (1-4) ◽

pp. 267-278 ◽

Author(s):

Thorsten Ochs ◽

Sibylle Köstlmeier ◽

Christian Elsässer

Keyword(s):

Ab Initio ◽

Density Functional ◽

Local Density ◽

Functional Study ◽

Microscopic Structure ◽

Density Functional Study ◽

Local Density Functional ◽

Structure And Bonding

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Structure and stability of small cadmium-carbon clusters: A density functional study of CdCn(n=2−12)

2011 International Conference on Multimedia Technology ◽

10.1109/icmt.2011.6002477 ◽

2011 ◽

Author(s):

Yan Wei ◽

Gelin Dai ◽

Qing Zhang ◽

Ting Wang ◽

Guikao Yang ◽

...

Keyword(s):

Density Functional ◽

Functional Study ◽

Carbon Clusters ◽

Density Functional Study ◽

Structure And Stability

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Linkage Isomerism in Complexes ofo-Xylylene: Density Functional Study of the Structure and Bonding inendo- andexo-Ru(PH3)3(o-xylylene)

Organometallics ◽

10.1021/om9600755 ◽

1996 ◽

Vol 15 (14) ◽

pp. 3109-3114 ◽

Author(s):

John E. McGrady ◽

Robert Stranger ◽

Mark Bown ◽

Martin A. Bennett

Keyword(s):

Density Functional ◽

Functional Study ◽

Density Functional Study ◽

Linkage Isomerism ◽

Structure And Bonding

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Density Functional Study on Structure and Bonding Nature of CO Adsorbed Rh n +/− (n = 2–8) Clusters

Journal of Cluster Science ◽

10.1007/s10876-017-1241-x ◽

2017 ◽

Vol 28 (5) ◽

pp. 2601-2622 ◽

Author(s):

Abhijit Dutta ◽

Paritosh Mondal

Keyword(s):

Density Functional ◽

Functional Study ◽

Density Functional Study ◽

Structure And Bonding

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Do Penta- and Decaphospha Analogues of Lithocene Anion and Beryllocene Exist? Analysis of Stability, Structure, and Bonding by Hybrid Density Functional Study

Inorganic Chemistry ◽

10.1021/ic0340027 ◽

2003 ◽

Vol 42 (12) ◽

pp. 3873-3883 ◽

Author(s):

E. J. Padma Malar

Keyword(s):

Density Functional ◽

Functional Study ◽

Density Functional Study ◽

Stability Structure ◽

Structure And Bonding ◽

Analysis Of Stability ◽

Hybrid Density Functional

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Structural stability and growth mechanism of neutral and anionic small carbon clusters: Density functional study

Computational and Theoretical Chemistry ◽

10.1016/j.comptc.2017.01.012 ◽

2017 ◽

Vol 1102 ◽

pp. 105-113 ◽

Author(s):

A.C. Ngandjong ◽

J.Z. Mezei ◽

J. Mougenot ◽

A. Michau ◽

K. Hassouni ◽

...

Keyword(s):

Structural Stability ◽

Growth Mechanism ◽

Density Functional ◽

Functional Study ◽

Carbon Clusters ◽

Density Functional Study

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Structure and Bonding in Pentacyano(L)ferrate(II) and Pentacyano(L)ruthenate(II) Complexes (L = Pyridine, Pyrazine, andN-Methylpyrazinium): A Density Functional Study

Inorganic Chemistry ◽

10.1021/ic960534u ◽

1996 ◽

Vol 35 (23) ◽

pp. 6832-6837 ◽

Author(s):

Darío A. Estrin ◽

O. Yasmine Hamra ◽

Luca Paglieri ◽

Leonardo D. Slep ◽

José A. Olabe

Keyword(s):

Density Functional ◽

Functional Study ◽

Density Functional Study ◽

Structure And Bonding

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Density Functional Study of Tetra-Atomic Clusters and Complexes of the Group 16 Elements: Trends in Structure and Bonding

The Journal of Physical Chemistry A ◽

10.1021/jp990848d ◽

1999 ◽

Vol 103 (34) ◽

pp. 6825-6834 ◽

Author(s):

Galina Orlova ◽

John D. Goddard

Keyword(s):

Density Functional ◽

Atomic Clusters ◽

Functional Study ◽

Density Functional Study ◽

Structure And Bonding ◽

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Ab initio and density functional study of structure and bonding of cage compounds containing boron, phosphorus and group 14 atomsElectronic supplementary information (ESI) available: optimized bond lengths and angles. See http://www.rsc.org/suppdata/nj/b3/b301191g/

New Journal of Chemistry ◽

10.1039/b301191g ◽

2003 ◽

Vol 27 (8) ◽

pp. 1240 ◽

Author(s):

Sofia Pachini ◽

Michael P. Sigalas

Keyword(s):

Ab Initio ◽

Density Functional ◽

Supplementary Information ◽

Functional Study ◽

Group 14 ◽

Cage Compounds ◽

Density Functional Study ◽

Bond Lengths ◽

Structure And Bonding

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Small Carbon Clusters Doped with Vanadium Metal: A Density Functional Study of VCn(n= 1−8)

Journal of Chemical Theory and Computation ◽

10.1021/ct060033q ◽

2006 ◽

Vol 2 (3) ◽

pp. 885-893 ◽

Author(s):

Pilar Redondo ◽

Carmen Barrientos ◽

Antonio Largo

Keyword(s):

Density Functional ◽

Functional Study ◽

Carbon Clusters ◽

Density Functional Study ◽

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