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Items: 1 to 20 of 108

1.

Benzene analogues of (quasi-)planar M@B(n)H(n) compounds (M = V(-), Cr, Mn+): a theoretical investigation.

Li L, Xu C, Jin B, Cheng L.

J Chem Phys. 2013 Nov 7;139(17):174310. doi: 10.1063/1.4827517.

PMID:
24206301
2.

Ferrocene analogues of sandwich M(CrB₆H₆)₂: a theoretical investigation.

Li L, Xu C, Jin B, Cheng L.

Dalton Trans. 2014 Aug 14;43(30):11739-44. doi: 10.1039/c4dt01106f. Epub 2014 Jun 23.

PMID:
24953127
3.

Transition-metal-centered monocyclic boron wheel clusters (M©Bn): a new class of aromatic borometallic compounds.

Romanescu C, Galeev TR, Li WL, Boldyrev AI, Wang LS.

Acc Chem Res. 2013 Feb 19;46(2):350-8. doi: 10.1021/ar300149a. Epub 2012 Dec 5.

PMID:
23210660
4.

Unconventional charge distribution in the planar wheel-type M©B6H6(-/0/+) (M = Mn, Fe and Co): central M with negative charges and peripheral boron ring with positive charges.

Hou J, Duan Q, Qin J, Shen X, Zhao J, Liang Q, Jiang D, Gao S.

Phys Chem Chem Phys. 2015 Apr 21;17(15):9644-50. doi: 10.1039/c5cp00254k.

PMID:
25830384
5.

Ferrocene analogues of sandwich B12·Cr·B12: a theoretical study.

Yuan Y, Cheng L.

J Chem Phys. 2013 Jan 14;138(2):024301. doi: 10.1063/1.4773281.

PMID:
23320677
6.

B14: an all-boron fullerene.

Cheng L.

J Chem Phys. 2012 Mar 14;136(10):104301. doi: 10.1063/1.3692183.

PMID:
22423832
7.

Double-chain planar D2h B4H2, C2h B8H2, and C2h B12H2: conjugated aromatic borenes.

Li DZ, Chen Q, Wu YB, Lu HG, Li SD.

Phys Chem Chem Phys. 2012 Nov 21;14(43):14769-74. doi: 10.1039/c2cp40902j. Epub 2012 Jun 8.

PMID:
22678105
8.

Structure and bonding in stannadiphospholes and their dianions SnC2P2R2m (R=H, tBu m=0, -2): a comparative study with C5H5+ and C5H5- analogues.

Reddy KH, Usharani D, Nixon JF, Jemmis ED.

Chemistry. 2011 Aug 8;17(33):9142-52. doi: 10.1002/chem.201100239. Epub 2011 Jul 15.

PMID:
21766359
9.

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
10.

Planar hepta-, octa-, nona-, and decacoordinate first row d-block metals enclosed by boron rings.

Pu Z, Ito K, Schleyer Pv, Li QS.

Inorg Chem. 2009 Nov 16;48(22):10679-86. doi: 10.1021/ic901377h.

PMID:
19842659
11.

Geometry and stability of BenCm (n=1-10; m=1, 2, ..., to 11-n) clusters.

Ghouri MM, Yareeda L, Mainardi DS.

J Phys Chem A. 2007 Dec 20;111(50):13133-47. Epub 2007 Nov 20.

PMID:
18020429
12.

Transition-metal-centered nine-membered boron rings: MⓒB9 and MⓒB9(-) (M = Rh, Ir).

Li WL, Romanescu C, Galeev TR, Piazza ZA, Boldyrev AI, Wang LS.

J Am Chem Soc. 2012 Jan 11;134(1):165-8. doi: 10.1021/ja209808k. Epub 2011 Dec 16.

PMID:
22148745
13.

Double aromaticity in transition metal centered double-ring boron clusters M@B2n (M = Ti, Cr, Fe, Ni, Zn; n = 6, 7, 8).

Xu C, Cheng L, Yang J.

J Chem Phys. 2014 Sep 28;141(12):124301. doi: 10.1063/1.4895727.

PMID:
25273431
14.

Triple-decker-sandwich versus rice-ball structures for tris(benzene)dimetal derivatives of the first-row transition metals.

Liu H, Li QS, Xie Y, King RB, Schaefer HF 3rd.

J Phys Chem A. 2011 Aug 18;115(32):9022-32. doi: 10.1021/jp203956k. Epub 2011 Jul 26.

PMID:
21749042
15.

Ribbon aromaticity in double-chain planar B(n)H2(2-) and Li2B(n)H2 nanoribbon clusters up to n = 22: lithiated boron dihydride analogues of polyenes.

Bai H, Chen Q, Miao CQ, Mu YW, Wu YB, Lu HG, Zhai HJ, Li SD.

Phys Chem Chem Phys. 2013 Nov 21;15(43):18872-80. doi: 10.1039/c3cp53761g.

PMID:
24089246
16.

B22- and B23-: all-boron analogues of anthracene and phenanthrene.

Sergeeva AP, Piazza ZA, Romanescu C, Li WL, Boldyrev AI, Wang LS.

J Am Chem Soc. 2012 Oct 31;134(43):18065-73. doi: 10.1021/ja307605t. Epub 2012 Oct 17.

PMID:
23030415
17.

Comprehensive analysis of chemical bonding in boron clusters.

Zubarev DY, Boldyrev AI.

J Comput Chem. 2007 Jan 15;28(1):251-68.

PMID:
17111395
18.

Theoretical study of main-group metal-borazine sandwich complexes.

Kang HS.

J Phys Chem A. 2005 Feb 24;109(7):1458-67.

PMID:
16833465
19.

Aromaticity and electron affinity of Carbo(k)-[3]radialenes, k=0, 1, 2.

Lepetit C, Brøndsted Nielsen M, Diederich F, Chauvin R.

Chemistry. 2003 Oct 17;9(20):5056-66.

PMID:
14562323
20.

Inner hydrogen atom transfer in benzo-fused low symmetrical metal-free tetraazaporphyrin and phthalocyanine analogues: density functional theory studies.

Qi D, Zhang Y, Cai X, Jiang J, Bai M.

J Mol Graph Model. 2009 Feb;27(6):693-700. doi: 10.1016/j.jmgm.2008.10.008. Epub 2008 Nov 5.

PMID:
19097816

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