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Similar articles for PubMed (Select 23544786)

1.

Binding interactions in dimers of phenalenyl and closed-shell analogues.

Kolb B, Kertesz M, Thonhauser T.

J Phys Chem A. 2013 May 2;117(17):3642-9. doi: 10.1021/jp3095424. Epub 2013 Apr 22.

PMID:
23544786
2.

Is there a lower limit to the CC bonding distances in neutral radical pi-dimers? The case of phenalenyl derivatives.

Tian YH, Kertesz M.

J Am Chem Soc. 2010 Aug 11;132(31):10648-9. doi: 10.1021/ja103396h.

PMID:
20681685
3.

Third-order nonlinear optical properties of one-dimensional open-shell molecular aggregates composed of phenalenyl radicals.

Yoneda K, Nakano M, Fukuda K, Matsui H, Takamuku S, Hirosaki Y, Kubo T, Kamada K, Champagne B.

Chemistry. 2014 Aug 25;20(35):11129-36. doi: 10.1002/chem.201402197. Epub 2014 Jul 23.

PMID:
25056603
4.

Density, structure, and dynamics of water: the effect of van der Waals interactions.

Wang J, Román-Pérez G, Soler JM, Artacho E, Fernández-Serra MV.

J Chem Phys. 2011 Jan 14;134(2):024516. doi: 10.1063/1.3521268. Erratum in: J Chem Phys. 2011 Feb 7;134(5):059901.

PMID:
21241129
5.

Rotational barrier in phenalenyl neutral radical dimer: separating pancake and van der Waals interactions.

Cui ZH, Lischka H, Beneberu HZ, Kertesz M.

J Am Chem Soc. 2014 Apr 16;136(15):5539-42. doi: 10.1021/ja412862n. Epub 2014 Apr 7.

PMID:
24708421
6.

Differences in structure, energy, and spectrum between neutral, protonated, and deprotonated phenol dimers: comparison of various density functionals with ab initio theory.

Kołaski M, Kumar A, Singh NJ, Kim KS.

Phys Chem Chem Phys. 2011 Jan 21;13(3):991-1001. doi: 10.1039/c003008b. Epub 2010 Nov 9.

PMID:
21063580
7.

A van der Waals density functional study of ice Ih.

Hamada I.

J Chem Phys. 2010 Dec 7;133(21):214503. doi: 10.1063/1.3507916.

PMID:
21142304
8.

GGA versus van der Waals density functional results for mixed gold/mercury molecules and pure Au and Hg cluster properties.

Fernández EM, Balbás LC.

Phys Chem Chem Phys. 2011 Dec 14;13(46):20863-70. doi: 10.1039/c1cp22455g. Epub 2011 Oct 17.

PMID:
22006277
9.

van der Waals interactions of polycyclic aromatic hydrocarbon dimers.

Chakarova SD, Schröder E.

J Chem Phys. 2005 Feb 1;122(5):54102.

PMID:
15740305
10.

Short-Range Cut-Off of the Summed-Up van der Waals Series: Rare-Gas Dimers.

Patra A, Xiao B, Perdew JP.

Top Curr Chem. 2015 Apr 21. [Epub ahead of print]

PMID:
25896440
11.

A benchmark comparison of σ/σ and π/π dispersion: the dimers of naphthalene and decalin, and coronene and perhydrocoronene.

Janowski T, Pulay P.

J Am Chem Soc. 2012 Oct 24;134(42):17520-5. doi: 10.1021/ja303676q. Epub 2012 Oct 9.

12.

Control of Exchange Interactions in π Dimers of 6-Oxophenalenoxyl Neutral π Radicals: Spin-Density Distributions and Multicentered-Two-Electron Bonding Governed by Topological Symmetry and Substitution at the 8-Position.

Nishida S, Kawai J, Moriguchi M, Ohba T, Haneda N, Fukui K, Fuyuhiro A, Shiomi D, Sato K, Takui T, Nakasuji K, Morita Y.

Chemistry. 2013 Aug 6. doi: 10.1002/chem.201301783. [Epub ahead of print]

PMID:
23922181
13.

Improved description of soft layered materials with van der Waals density functional theory.

Graziano G, Klimeš J, Fernandez-Alonso F, Michaelides A.

J Phys Condens Matter. 2012 Oct 24;24(42):424216. doi: 10.1088/0953-8984/24/42/424216. Epub 2012 Oct 3.

PMID:
23032994
14.

Synthesis, structure, and physical properties of a partial π-stacked phenalenyl-based neutral radical molecular conductor.

Sarkar A, Itkis ME, Tham FS, Haddon RC.

Chemistry. 2011 Oct 4;17(41):11576-84. doi: 10.1002/chem.201100730. Epub 2011 Aug 31.

PMID:
21882266
15.

Interactions of transition metal atoms in high-spin states: Cr2, Sc-Cr, and Sc-Kr.

Rajchel L, Zuchowski PS, Kłos J, Szcześniak MM, Chałasiński G.

J Chem Phys. 2007 Dec 28;127(24):244302. doi: 10.1063/1.2805390.

PMID:
18163670
16.

Spin-coupling in dimers of 2,3-dicyano-5,6-dichlorosemiquinone radical anions in the crystalline state.

Molčanov K, Babić D, Kojić-Prodić B, Stare J, Maltar-Strmečki N, Androš L.

Acta Crystallogr B Struct Sci Cryst Eng Mater. 2014 Feb;70(Pt 1):181-90. doi: 10.1107/S2052520613027170. Epub 2013 Dec 10.

PMID:
24441141
17.

Structure and binding in crystals of cagelike molecules: hexamine and platonic hydrocarbons.

Berland K, Hyldgaard P.

J Chem Phys. 2010 Apr 7;132(13):134705. doi: 10.1063/1.3366652.

PMID:
20387952
18.

CO2 capture by metal-organic frameworks with van der Waals density functionals.

Poloni R, Smit B, Neaton JB.

J Phys Chem A. 2012 May 24;116(20):4957-64. doi: 10.1021/jp302190v. Epub 2012 May 7.

PMID:
22519821
19.

Dimeric phenalenyl-based neutral radical molecular conductors.

Chi X, Itkis ME, Kirschbaum K, Pinkerton AA, Oakley RT, Cordes AW, Haddon RC.

J Am Chem Soc. 2001 May 2;123(17):4041-8.

PMID:
11457155
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