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Items: 1 to 20 of 192

1.

Structural, electronic and magnetic properties of binary transition metal aluminum clusters: absence of electronic shell structure.

Chauhan V, Singh A, Majumder C, Sen P.

J Phys Condens Matter. 2014 Jan 8;26(1):015006. doi: 10.1088/0953-8984/26/1/015006. Epub 2013 Nov 25.

PMID:
24275105
2.

Structural, electronic and magnetic effects of Al-doped niobium clusters: a density functional theory study.

Wang HQ, Li HF, Wang JX, Kuang XY.

J Mol Model. 2012 Jul;18(7):2993-3001. doi: 10.1007/s00894-011-1314-y. Epub 2011 Dec 7.

PMID:
22146984
3.

First-principles studies of BN sheets with absorbed transition metal single atoms or dimers: stabilities, electronic structures, and magnetic properties.

Ma D, Lu Z, Ju W, Tang Y.

J Phys Condens Matter. 2012 Apr 11;24(14):145501. doi: 10.1088/0953-8984/24/14/145501. Epub 2012 Mar 13.

PMID:
22410806
4.
5.

The origin of half-metallicity in conjugated electron systems--a study on transition-metal-doped graphyne.

Pan L, Song B, Sun J, Zhang L, Hofer W, Du S, Gao HJ.

J Phys Condens Matter. 2013 Dec 18;25(50):505502. doi: 10.1088/0953-8984/25/50/505502. Epub 2013 Nov 25.

PMID:
24275545
6.

Silicene and transition metal based materials: prediction of a two-dimensional piezomagnet.

Dzade NY, Obodo KO, Adjokatse SK, Ashu AC, Amankwah E, Atiso CD, Bello AA, Igumbor E, Nzabarinda SB, Obodo JT, Ogbuu AO, Femi OE, Udeigwe JO, Waghmare UV.

J Phys Condens Matter. 2010 Sep 22;22(37):375502. doi: 10.1088/0953-8984/22/37/375502. Epub 2010 Aug 25.

PMID:
21403198
7.

First-principles study of electronic and magnetic properties of transition metal adsorbed h-BNC2 sheets.

Srivastava P, Deshpande M, Sen P.

Phys Chem Chem Phys. 2011 Dec 28;13(48):21593-9. doi: 10.1039/c1cp21974j. Epub 2011 Nov 9.

PMID:
22068843
8.

Mononuclear homoleptic allyl complexes of the first row transition metals: species with unusual metal electronic configurations.

Pu MP, Li QS, Xie Y, King RB, Schaefer HF 3rd.

J Phys Chem A. 2011 May 5;115(17):4491-504. doi: 10.1021/jp1119712. Epub 2011 Apr 4.

PMID:
21462987
9.

Nuclear magnetic resonance at up to 10.1 GPa pressure detects an electronic topological transition in aluminum metal.

Meissner T, Goh SK, Haase J, Richter M, Koepernik K, Eschrig H.

J Phys Condens Matter. 2014 Jan 8;26(1):015501. doi: 10.1088/0953-8984/26/1/015501. Epub 2013 Nov 29.

PMID:
24292279
10.

Electronic structure of trioxide, oxoperoxide, oxosuperoxide, and ozonide clusters of the 3d elements: density functional theory study.

Uzunova EL.

J Phys Chem A. 2011 Mar 3;115(8):1320-30. doi: 10.1021/jp1097266. Epub 2011 Feb 7.

PMID:
21299242
11.

Binuclear cyclopentadienylmetal cyclooctatetraene derivatives of the first row transition metals: effects of ring conformation on the bonding of an eight-membered carbocyclic ring to a pair of metal atoms.

Zhai X, Li G, Li QS, Xie Y, King RB, Schaefer HF.

J Phys Chem A. 2011 Apr 14;115(14):3133-43. doi: 10.1021/jp112077j. Epub 2011 Mar 22.

PMID:
21438631
12.

A structure-based analysis of the vibrational spectra of nitrosyl ligands in transition-metal coordination complexes and clusters.

De La Cruz C, Sheppard N.

Spectrochim Acta A Mol Biomol Spectrosc. 2011 Jan;78(1):7-28. doi: 10.1016/j.saa.2010.08.001. Epub 2010 Aug 17.

PMID:
21123107
13.

First-principles prediction on electronic and magnetic properties of hydrogenated AlN nanosheets.

Zhang CW, Zheng FB.

J Comput Chem. 2011 Nov 15;32(14):3122-8. doi: 10.1002/jcc.21902. Epub 2011 Aug 3.

PMID:
21815179
14.

A theoretical study of structural and electronic properties of pentacene/Al(100) interface.

Saranya G, Nair S, Natarajan V, Kolandaivel P, Senthilkumar K.

J Mol Graph Model. 2012 Sep;38:334-41. doi: 10.1016/j.jmgm.2012.06.008. Epub 2012 Jul 11.

PMID:
23085172
15.

Electronic and magnetic properties of pristine and transition metal doped ZnTe nanowires.

Mukherjee P, Gupta BC, Jena P.

J Phys Condens Matter. 2013 Jul 3;25(26):266003. doi: 10.1088/0953-8984/25/26/266003. Epub 2013 Jun 12.

PMID:
23756471
16.

Magneto-structural properties and magnetic anisotropy of small transition-metal clusters: a first-principles study.

Błoński P, Hafner J.

J Phys Condens Matter. 2011 Apr 6;23(13):136001. doi: 10.1088/0953-8984/23/13/136001. Epub 2011 Mar 14.

PMID:
21403235
17.

NMR and NQR study of Si-doped (6,0) zigzag single-walled aluminum nitride nanotube as n or P-semiconductors.

Baei MT, Peyghan AA, Tavakoli K, Babaheydari AK, Moghimi M.

J Mol Model. 2012 Sep;18(9):4427-36. doi: 10.1007/s00894-012-1443-y. Epub 2012 May 16.

PMID:
22588584
18.

Metal to insulator transitions in clusters.

von Issendorff B, Cheshnovsky O.

Annu Rev Phys Chem. 2005;56:549-80. Review.

PMID:
15796711
19.

Computational insight into the static and dynamic polarizabilities of aluminum nanoclusters.

Alipour M, Mohajeri A.

J Phys Chem A. 2010 Dec 9;114(48):12709-15. doi: 10.1021/jp106772n. Epub 2010 Nov 15.

PMID:
21077601
20.

Trigonal-bipyramidal metal cyanide complexes: a versatile platform for the systematic assessment of the magnetic properties of Prussian blue materials.

Funck KE, Hilfiger MG, Berlinguette CP, Shatruk M, Wernsdorfer W, Dunbar KR.

Inorg Chem. 2009 Apr 20;48(8):3438-52. doi: 10.1021/ic801990g.

PMID:
19361244

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