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Results: 1 to 20 of 94

1.

Interatomic relaxation effects in double core ionization of chain molecules.

Kryzhevoi NV, Tashiro M, Ehara M, Cederbaum LS.

J Chem Phys. 2012 Oct 21;137(15):154316. doi: 10.1063/1.4759078.

PMID:
23083174
[PubMed]
3.

From short conjugated oligomers to conjugated polymers. Lessons from studies on long conjugated oligomers.

Zade SS, Zamoshchik N, Bendikov M.

Acc Chem Res. 2011 Jan 18;44(1):14-24. doi: 10.1021/ar1000555. Epub 2010 Oct 13.

PMID:
20942477
[PubMed]
4.

Core molecule dependence of energy migration in phenylacetylene nanostar dendrimers: Ab initio molecular orbital-configuration interaction based quantum master equation study.

Kishi R, Minami T, Fukui H, Takahashi H, Nakano M.

J Chem Phys. 2008 Jun 28;128(24):244306. doi: 10.1063/1.2939244.

PMID:
18601331
[PubMed]
5.

Orbital overlap and chemical bonding.

Krapp A, Bickelhaupt FM, Frenking G.

Chemistry. 2006 Dec 13;12(36):9196-216.

PMID:
17024702
[PubMed]
6.

The nature of the chemical bond revisited: an energy-partitioning analysis of nonpolar bonds.

Kovács A, Esterhuysen C, Frenking G.

Chemistry. 2005 Mar 4;11(6):1813-25.

PMID:
15672434
[PubMed]
7.

Inner-shell single and double ionization potentials of aminophenol isomers.

Kryzhevoi NV, Santra R, Cederbaum LS.

J Chem Phys. 2011 Aug 28;135(8):084302. doi: 10.1063/1.3624393.

PMID:
21895180
[PubMed]
8.

Theoretical molecular double-core-hole spectroscopy of nucleobases.

Takahashi O, Tashiro M, Ehara M, Yamasaki K, Ueda K.

J Phys Chem A. 2011 Nov 10;115(44):12070-82. doi: 10.1021/jp205923m. Epub 2011 Oct 18.

PMID:
21942319
[PubMed]
9.

The superatom states of fullerenes and their hybridization into the nearly free electron bands of fullerites.

Zhao J, Feng M, Yang J, Petek H.

ACS Nano. 2009 Apr 28;3(4):853-64. doi: 10.1021/nn800834k.

PMID:
19351148
[PubMed]
10.

Electronic structure of tubular aromatic molecules derived from the metallic (5,5) armchair single wall carbon nanotube.

Zhou Z, Steigerwald M, Hybertsen M, Brus L, Friesner RA.

J Am Chem Soc. 2004 Mar 24;126(11):3597-607.

PMID:
15025489
[PubMed]
11.

Internuclear separation dependent ionization of the valence orbitals of I2 by strong laser fields.

Chen H, Tagliamonti V, Gibson GN.

Phys Rev Lett. 2012 Nov 9;109(19):193002. Epub 2012 Nov 8.

PMID:
23215378
[PubMed]
12.

Slater-like model for carbon 1s core ionization energies of halomethanes.

Cao C.

Chemphyschem. 2006 Mar 13;7(3):658-63.

PMID:
16493699
[PubMed]
13.

A DFT based investigation into the electronic structure and properties of hydride rich rhodium clusters.

Brayshaw SK, Green JC, Hazari N, Weller AS.

Dalton Trans. 2007 May 14;(18):1781-92. Epub 2007 Mar 26.

PMID:
17471373
[PubMed]
14.

The influence of salt on the structure and energetics of supercoiled DNA.

Schlick T, Li B, Olson WK.

Biophys J. 1994 Dec;67(6):2146-66.

PMID:
7696459
[PubMed - indexed for MEDLINE]
Free PMC Article
15.

The role of relativity and dispersion controlled inter-chain interaction on the band gap of thiophene, selenophene, and tellurophene oligomers.

Chattopadhyaya M, Sen S, Alam MM, Chakrabarti S.

J Chem Phys. 2012 Mar 7;136(9):094904. doi: 10.1063/1.3689860.

PMID:
22401470
[PubMed]
16.

Probing the interface of doped isotopically mixed helium droplets by the directional anisotropy of interatomic Coulombic decay.

Kryzhevoi NV, Mateo D, Pi M, Barranco M, Cederbaum LS.

Phys Chem Chem Phys. 2013 Nov 7;15(41):18167-73. doi: 10.1039/c3cp52898g.

PMID:
24068184
[PubMed]
17.

Electron delocalization in cross-conjugated p-phenylenevinylidene oligomers.

Klokkenburg M, Lutz M, Spek AL, van der Maas JH, van Walree CA.

Chemistry. 2003 Aug 4;9(15):3544-54.

PMID:
12898681
[PubMed]
18.

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
[PubMed - indexed for MEDLINE]
19.

Intramolecular electron transfer in heterosubstituted benzene derivatives as probed by dissociative electron attachment.

Modelli A, Venuti M, Szepes L.

J Am Chem Soc. 2002 Jul 17;124(28):8498-504.

PMID:
12105932
[PubMed - indexed for MEDLINE]
20.

Sustained ferromagnetism induced by H-vacancies in graphane.

Berashevich J, Chakraborty T.

Nanotechnology. 2010 Sep 3;21(35):355201. doi: 10.1088/0957-4484/21/35/355201. Epub 2010 Aug 6.

PMID:
20689162
[PubMed]

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