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Items: 1 to 20 of 104

1.

Unveiling the electronic structures and ligation effect of the superatom-polymeric zirconium oxide clusters: a computational study.

Wang J, Zhao Y, Li J, Huang HC, Chen J, Cheng SB.

Phys Chem Chem Phys. 2019 Jul 10;21(27):14865-14872. doi: 10.1039/c9cp01870k.

PMID:
31232409
2.

The electronic properties of superatom states of hollow molecules.

Feng M, Zhao J, Huang T, Zhu X, Petek H.

Acc Chem Res. 2011 May 17;44(5):360-8. doi: 10.1021/ar1001445. Epub 2011 Mar 17.

PMID:
21413734
3.

Relativistic computational investigation: the geometries and electronic properties of TaSi(n)+ (n = 1-13, 16) clusters.

Guo P, Ren ZY, Yang AP, Han JG, Bian J, Wang GH.

J Phys Chem A. 2006 Jun 15;110(23):7453-60.

PMID:
16759135
4.

Interconversion between Superatomic 6-Electron and 8-Electron Configurations of M@Au₂₄(SR)₁₈ Clusters (M = Pd, Pt).

Kwak K, Tang Q, Kim M, Jiang DE, Lee D.

J Am Chem Soc. 2015 Aug 26;137(33):10833-40. doi: 10.1021/jacs.5b06946. Epub 2015 Aug 13.

PMID:
26222199
5.

Comprehensive study of sodium, copper, and silver clusters over a wide range of sizes 2<or=N<or=75.

Itoh M, Kumar V, Adschiri T, Kawazoe Y.

J Chem Phys. 2009 Nov 7;131(17):174510. doi: 10.1063/1.3187934.

PMID:
19895028
6.

Structures and electronic properties of B3Sin- (n = 4-10) clusters: A combined ab initio and experimental study.

Wu X, Lu SJ, Liang X, Huang X, Qin Y, Chen M, Zhao J, Xu HG, King RB, Zheng W.

J Chem Phys. 2017 Jan 28;146(4):044306. doi: 10.1063/1.4974337.

PMID:
28147525
7.

Tuning the electronic properties of hexanuclear cobalt sulfide superatoms via ligand substitution.

Liu G, Pinkard A, Ciborowski SM, Chauhan V, Zhu Z, Aydt AP, Khanna SN, Roy X, Bowen KH.

Chem Sci. 2018 Dec 3;10(6):1760-1766. doi: 10.1039/c8sc03862g. eCollection 2019 Feb 14.

8.

Special and general superatoms.

Luo Z, Castleman AW.

Acc Chem Res. 2014 Oct 21;47(10):2931-40. doi: 10.1021/ar5001583. Epub 2014 Sep 24.

PMID:
25252219
9.

Ab initio study of neutral (TiO2)n clusters and their interactions with water and transition metal atoms.

Cakır D, Gülseren O.

J Phys Condens Matter. 2012 Aug 1;24(30):305301. doi: 10.1088/0953-8984/24/30/305301. Epub 2012 Jul 4.

PMID:
22763370
10.

Structural and electronic properties of reduced transition metal oxide clusters, M4O10 and M4O10- (M = Cr, W), from photoelectron spectroscopy and quantum chemical calculations.

Li S, Zhai HJ, Wang LS, Dixon DA.

J Phys Chem A. 2012 May 31;116(21):5256-71. doi: 10.1021/jp303604k. Epub 2012 May 16.

PMID:
22551114
11.

Computational investigation of TiSin (n=2-15) clusters by the density-functional theory.

Guo LJ, Liu X, Zhao GF, Luo YH.

J Chem Phys. 2007 Jun 21;126(23):234704.

PMID:
17600432
12.
13.

On the electronic and structural properties of tri-niobium oxide clusters Nb3O(n)- (n = 3-8): photoelectron spectroscopy and density functional calculations.

Chen WJ, Zhai HJ, Zhang YF, Huang X, Wang LS.

J Phys Chem A. 2010 May 20;114(19):5958-66. doi: 10.1021/jp102439v.

PMID:
20429573
14.

Phosphine-Ligated Gold Clusters with Core+ exo Geometries: Unique Properties and Interactions at the Ligand-Cluster Interface.

Konishi K, Iwasaki M, Shichibu Y.

Acc Chem Res. 2018 Dec 18;51(12):3125-3133. doi: 10.1021/acs.accounts.8b00477. Epub 2018 Nov 14.

PMID:
30427180
15.

Superatoms: Electronic and Geometric Effects on Reactivity.

Reber AC, Khanna SN.

Acc Chem Res. 2017 Feb 21;50(2):255-263. doi: 10.1021/acs.accounts.6b00464. Epub 2017 Feb 9.

PMID:
28182404
16.

Molecular structures and energetics of the (ZrO(2))(n) and (HfO(2))(n) (n = 1-4) clusters and their anions.

Li S, Dixon DA.

J Phys Chem A. 2010 Feb 25;114(7):2665-83. doi: 10.1021/jp910310j.

PMID:
20128586
17.
18.

On the Possibility of Using the Jellium Model as a Guide To Design Bimetallic Superalkali Cations.

Sun WM, Zhang XL, Pan KY, Chen JH, Wu D, Li CY, Li Y, Li ZR.

Chemistry. 2019 Mar 21;25(17):4358-4366. doi: 10.1002/chem.201806194. Epub 2019 Mar 5.

PMID:
30681743
20.

Metal Chalcogenide Clusters with Closed Electronic Shells and the Electronic Properties of Alkalis and Halogens.

Chauhan V, Reber AC, Khanna SN.

J Am Chem Soc. 2017 Feb 8;139(5):1871-1877. doi: 10.1021/jacs.6b09416. Epub 2017 Jan 26.

PMID:
28081603

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