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Items: 1 to 20 of 169

1.

Evolution of structure and properties of neutral and negatively charged transition metal-coronene complexes: a comprehensive analysis.

Ding LP, Kuang XY, Shao P, Zhong MM.

Dalton Trans. 2013 Jun 28;42(24):8644-54. doi: 10.1039/c3dt50499a. Epub 2013 Apr 30.

PMID:
23632443
2.

Ground state structures and photoelectron spectroscopy of [Com(coronene)]- complexes.

Kandalam AK, Kiran B, Jena P, Li X, Grubisic A, Bowen KH.

J Chem Phys. 2007 Feb 28;126(8):084306.

PMID:
17343447
3.

Negative ions of transition metal-halogen clusters.

Pradhan K, Gutsev GL, Jena P.

J Chem Phys. 2010 Oct 14;133(14):144301. doi: 10.1063/1.3489117.

PMID:
20949994
4.

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
5.

Electronic structure and properties of transition metal-benzene complexes.

Pandey R, Rao BK, Jena P, Blanco MA.

J Am Chem Soc. 2001 Apr 25;123(16):3799-808.

PMID:
11457112
6.

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
7.

Probing the structural and magnetic properties of transition metal-benzene anion complexes.

Li HF, Kuang XY, Wang HQ.

Dalton Trans. 2011 May 7;40(17):4578-89. doi: 10.1039/c1dt10255a. Epub 2011 Mar 24.

PMID:
21437303
8.

An all-electron density functional theory study of the structure and properties of the neutral and singly charged M12 and M13 clusters: M = Sc-Zn.

Gutsev GL, Weatherford CW, Belay KG, Ramachandran BR, Jena P.

J Chem Phys. 2013 Apr 28;138(16):164303. doi: 10.1063/1.4799917.

PMID:
23635134
10.
11.

Metal complexes containing allenylidene and higher cumulenylidene ligands: a theoretical perspective.

Coletti C, Marrone A, Re N.

Acc Chem Res. 2012 Feb 21;45(2):139-49. doi: 10.1021/ar200009u. Epub 2011 Sep 7.

PMID:
21899273
12.
14.

Probing the stability of neutral and anionic transition-metal-doped golden cage nanoclusters: M@Au16 (M = Sc, Ti, V).

Li HF, Wang HQ.

Phys Chem Chem Phys. 2014 Jan 7;16(1):244-54. doi: 10.1039/c3cp53292e.

PMID:
24247727
15.

Titanium-doped nickel clusters TiNi(n) (n = 1-12): geometry, electronic, magnetic, and hydrogen adsorption properties.

Venkataramanan NS, Sahara R, Mizuseki H, Kawazoe Y.

J Phys Chem A. 2010 Apr 22;114(15):5049-57. doi: 10.1021/jp100459c.

PMID:
20334429
16.

Photoelectron spectroscopic and theoretical studies of Fe(m)-(coronene)n (m=1,2, n=1,2) complexes.

Li X, Eustis S, Bowen KH, Kandalam AK, Jena P.

J Chem Phys. 2008 Aug 21;129(7):074313. doi: 10.1063/1.2968609.

PMID:
19044773
17.

Electron-phonon interactions and Jahn-Teller effects in the monocation of corannulene.

Kato T, Yamabe T.

J Phys Chem A. 2006 Mar 2;110(8):2785-95.

PMID:
16494390
18.

Photoelectron spectroscopy and theoretical studies of [Co(m)(pyrene)(n)]- (m = 1,2 and n = 1,2) complexes.

Kandalam AK, Jena P, Li X, Eustis SN, Bowen KH.

J Chem Phys. 2008 Oct 7;129(13):134308. doi: 10.1063/1.2982786.

PMID:
19045091
19.

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
20.

Stability and spectroscopic properties of singly and doubly charged anions.

Behera S, Jena P.

J Phys Chem A. 2012 Jun 14;116(23):5604-17. doi: 10.1021/jp210095q. Epub 2012 Jun 1.

PMID:
22612055

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