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Items: 1 to 20 of 88

1.

A sixteen-valence-electron carbon-group 13 family with global penta-atomic planar tetracoordinate carbon: an ionic strategy.

Zheng HF, Xu J, Ding YH.

Phys Chem Chem Phys. 2020 Feb 19;22(7):3975-3982. doi: 10.1039/c9cp06577f.

PMID:
32022042
2.

Mono-silicon isoelectronic replacement in CAl4 : van't hoff/le bel carbon or not?

Zheng HF, Xu J, Ding YH.

J Comput Chem. 2020 Jan 15;41(2):119-128. doi: 10.1002/jcc.26079. Epub 2019 Oct 29. Erratum in: J Comput Chem. 2020 Mar 30;41(8):855.

PMID:
31663141
3.

New global minima of 6-vertex dicarboranes: classical but unexpected.

Xue YY, Ding YH.

Chem Commun (Camb). 2019 May 30;55(45):6373-6376. doi: 10.1039/c9cc02557j.

PMID:
31089659
4.

Global Isomeric Survey of Elusive Cyclopropanetrione: Unknown but Viable Isomers.

Xin JF, Han XR, He FF, Ding YH.

Front Chem. 2019 Apr 3;7:193. doi: 10.3389/fchem.2019.00193. eCollection 2019.

5.

A kinetically persistent isomer found for pentazole: a global potential energy surface survey.

Bo XX, Zheng HF, Xin JF, Ding YH.

Chem Commun (Camb). 2019 Feb 26;55(18):2597-2600. doi: 10.1039/c8cc09626k.

PMID:
30657482
6.

CAl3X (X = B/Al/Ga/In/Tl) with 16 valence electrons: can planar tetracoordinate carbon be stable?

Zheng HF, Yu S, Hu TD, Xu J, Ding YH.

Phys Chem Chem Phys. 2018 Nov 7;20(41):26266-26272. doi: 10.1039/c8cp04774j. Epub 2018 Oct 16.

PMID:
30324197
7.

Theoretical Designs for Organoaluminum C2Al4R4 with Well-Separated Al(I) and Al(III).

Xue YY, Sui JJ, Xu J, Ding YH.

ACS Omega. 2017 Sep 5;2(9):5407-5414. doi: 10.1021/acsomega.7b00487. eCollection 2017 Sep 30.

8.

Identifying the Hydrogenated Planar Tetracoordinate Carbon: A Combined Experimental and Theoretical Study of CAl4H and CAl4H.

Xu J, Zhang X, Yu S, Ding YH, Bowen KH.

J Phys Chem Lett. 2017 May 18;8(10):2263-2267. doi: 10.1021/acs.jpclett.7b00732. Epub 2017 May 8.

PMID:
28471673
9.

Theoretical Prediction on [5]Radialene Sandwich Complexes (CpM)2(C10H10) (Cp = η5-C5H5; M = Fe, Co, Ni): Geometry, Spin States, and Bonding.

Liu NN, Xue YY, Ding YH.

J Phys Chem A. 2017 Feb 9;121(5):1106-1112. doi: 10.1021/acs.jpca.6b11066. Epub 2017 Jan 26.

PMID:
28080062
10.

Planar pentacoordinate carbon atoms embedded in a metallocene framework.

Cui ZH, Vassilev-Galindo V, Luis Cabellos J, Osorio E, Orozco M, Pan S, Ding YH, Merino G.

Chem Commun (Camb). 2016 Dec 20;53(1):138-141.

PMID:
27928569
11.
12.

Unusually Short Be-Be Distances with and without a Bond in Be2 F2 and in the Molecular Discuses Be2 B8 and Be2 B7 (.).

Cui ZH, Yang WS, Zhao L, Ding YH, Frenking G.

Angew Chem Int Ed Engl. 2016 Jun 27;55(27):7841-6. doi: 10.1002/anie.201601890. Epub 2016 Apr 20.

PMID:
27095370
13.

Isomerization Pathways of ONCNO: Unstable or Metastable?

He FF, Gao SM, Petris Gd, Rosi M, Ding YH.

J Phys Chem A. 2016 Jul 14;120(27):4812-7. doi: 10.1021/acs.jpca.5b12275. Epub 2016 Feb 24.

PMID:
26866389
14.

A template for a planar tetracoordinate heavier group 14 atom: a global study of C2Si2X(q) (X = C, Si, Ge, Sn, Pb; q = +1, 0, -1).

Sui JJ, Xu J, Ding YH.

Dalton Trans. 2016 Jan 7;45(1):56-60. doi: 10.1039/c5dt03989d.

PMID:
26605837
15.

How can carbon favor planar multi-coordination in boron-based clusters? Global structures of CB(x)E(y)(2-) (E = Al, Ga, x + y = 4).

Cui ZH, Sui JJ, Ding YH.

Phys Chem Chem Phys. 2015 Dec 21;17(47):32016-22. doi: 10.1039/c5cp04776e.

PMID:
26574884
16.

Planar tetracoordinate carbons with a double bond in CAl3E clusters.

Cui ZH, Ding YH, Cabellos JL, Osorio E, Islas R, Restrepo A, Merino G.

Phys Chem Chem Phys. 2015 Apr 14;17(14):8769-75. doi: 10.1039/c4cp05707d. Epub 2015 Mar 5.

PMID:
25739866
18.

Ca-Ca interaction in inverse sandwich Ca-C8H8-Ca.

Liu NN, Gao SM, Ding YH.

Dalton Trans. 2015 Jan 7;44(1):345-50. doi: 10.1039/c4dt02282c.

PMID:
25382394
19.

Silavinylidene stabilized by an N-heterocyclic carbene: a theoretically predicted stable molecule.

Xu J, Ding YH, Andrada DM, Frenking G.

Chemistry. 2014 Jul 21;20(30):9216-20. doi: 10.1002/chem.201403252. Epub 2014 Jun 4.

PMID:
24899112
20.

Theoretical investigation on the healing mechanism of divacancy defect in CNT growth by C₂H₂ and C₂H₄.

Xiao B, Yu XF, Ding YH.

J Mol Model. 2014 Mar;20(3):2125. doi: 10.1007/s00894-014-2125-8. Epub 2014 Feb 19.

PMID:
24549792

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