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Items: 1 to 20 of 118

1.

Quantitative characteristics of qualitative localized bonding patterns.

Zubarev DY, Domin D, Lester WA.

J Phys Chem A. 2010 Mar 11;114(9):3074-9. doi: 10.1021/jp906914y.

PMID:
19817374
2.

Revealing intuitively assessable chemical bonding patterns in organic aromatic molecules via adaptive natural density partitioning.

Zubarev DY, Boldyrev AI.

J Org Chem. 2008 Dec 5;73(23):9251-8. doi: 10.1021/jo801407e.

PMID:
18980326
3.

Deciphering chemical bonding in golden cages.

Zubarev DY, Boldyrev AI.

J Phys Chem A. 2009 Feb 5;113(5):866-8. doi: 10.1021/jp808103t.

PMID:
19175335
4.

Developing paradigms of chemical bonding: adaptive natural density partitioning.

Zubarev DY, Boldyrev AI.

Phys Chem Chem Phys. 2008 Sep 14;10(34):5207-17. doi: 10.1039/b804083d. Epub 2008 Jul 3.

PMID:
18728862
5.

Comparative analysis of electron-density and electron-localization function for dinuclear manganese complexes with bridging boron- and carbon-centered ligands.

Götz K, Kaupp M, Braunschweig H, Stalke D.

Chemistry. 2009;15(3):623-32. doi: 10.1002/chem.200801073.

PMID:
19040224
6.
7.

Planar π-aromatic C3h B6H(3)(+) and π-antiaromatic C2h B8H2: boron hydride analogues of D3h C3H(3)(+) and D2h C4H4.

Li DZ, Lu HG, Li SD.

J Mol Model. 2012 Jul;18(7):3161-7. doi: 10.1007/s00894-011-1322-y. Epub 2012 Jan 10.

PMID:
22231982
8.

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
9.

On the nature of chemical bonding in the all-metal aromatic [Sb3Au3Sb3](3-) sandwich complex.

You XR, Tian WJ, Li DZ, Wang YJ, Li R, Feng LY, Zhai HJ.

Phys Chem Chem Phys. 2016 May 21;18(19):13423-31. doi: 10.1039/c6cp00101g. Epub 2016 Apr 28.

PMID:
27124821
10.

Electron localization function at the correlated level.

Matito E, Silvi B, Duran M, Solà M.

J Chem Phys. 2006 Jul 14;125(2):24301.

PMID:
16848578
11.

Localized and delocalized chemical bonding in the compounds CaNiGe2, SrNiGe2, and SrNiSn2.

Hlukhyy V, Eck S, Fässler TF.

Inorg Chem. 2006 Sep 4;45(18):7408-16.

PMID:
16933945
12.

How do electron localization functions describe π-electron delocalization?

Steinmann SN, Mo Y, Corminboeuf C.

Phys Chem Chem Phys. 2011 Dec 14;13(46):20584-92. doi: 10.1039/c1cp21055f. Epub 2011 Jun 9.

PMID:
21660323
13.

Extracting covalent and ionic structures from usual delocalized wave functions: the electron-expansion methodology.

Papanikolaou P, Karafiloglou P.

J Phys Chem A. 2008 Sep 18;112(37):8839-48. doi: 10.1021/jp8039725. Epub 2008 Aug 26.

PMID:
18729341
14.

Solid state adaptive natural density partitioning: a tool for deciphering multi-center bonding in periodic systems.

Galeev TR, Dunnington BD, Schmidt JR, Boldyrev AI.

Phys Chem Chem Phys. 2013 Apr 14;15(14):5022-9. doi: 10.1039/c3cp50350j.

PMID:
23443061
15.

Aromaticity: molecular-orbital picture of an intuitive concept.

Pierrefixe SC, Bickelhaupt FM.

Chemistry. 2007;13(22):6321-8.

PMID:
17577248
16.
17.
18.

Hypovalency--a kinetic-energy density description of a 4c-2e bond.

Jacobsen H.

Dalton Trans. 2009 Jun 7;(21):4252-8. doi: 10.1039/b823382a. Epub 2009 Apr 22.

PMID:
19452076
19.

Two-center two-electron covalent bonds with deficient bonding densities.

Yang Y.

J Phys Chem A. 2012 Oct 18;116(41):10150-9. doi: 10.1021/jp304420c. Epub 2012 Oct 9.

PMID:
23009383
20.

Experimental and theoretical investigations of CB8-: towards rational design of hypercoordinated planar chemical species.

Averkiev BB, Wang LM, Huang W, Wang LS, Boldyrev AI.

Phys Chem Chem Phys. 2009 Nov 14;11(42):9840-9. doi: 10.1039/b908973j. Epub 2009 Sep 9.

PMID:
19851564
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