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Items: 1 to 20 of 132

1.

Through-space interactions between parallel-offset arenes at the van der Waals distance: 1,8-diarylbiphenylene syntheses, structure and QM computations.

Cozzi F, Annunziata R, Benaglia M, Baldridge KK, Aguirre G, Estrada J, Sritana-Anant Y, Siegel JS.

Phys Chem Chem Phys. 2008 May 21;10(19):2686-94. doi: 10.1039/b800031j.

PMID:
18464983
2.

Through-space interactions between face-to-face, center-to-edge oriented arenes: importance of polar-pi effects.

Cozzi F, Annunziata R, Benaglia M, Cinquini M, Raimondi L, Baldridge KK, Siegel JS.

Org Biomol Chem. 2003 Jan 7;1(1):157-62.

PMID:
12929404
3.

Density functionals with broad applicability in chemistry.

Zhao Y, Truhlar DG.

Acc Chem Res. 2008 Feb;41(2):157-67. doi: 10.1021/ar700111a.

PMID:
18186612
4.
5.
6.

Unusual noncovalent interaction between the chelated Cu(II) ion and the pi bond in the vitamin B(13) complex, cis-diammine(orotato)copper(II): theoretical and vibrational spectroscopy studies.

Helios K, Wysokiński R, Zierkiewicz W, Proniewicz LM, Michalska D.

J Phys Chem B. 2009 Jun 11;113(23):8158-69. doi: 10.1021/jp901912v.

PMID:
19453135
7.

Conjugated polymers in an arene sandwich.

McNeil AJ, Müller P, Whitten JE, Swager TM.

J Am Chem Soc. 2006 Sep 27;128(38):12426-7.

PMID:
16984187
8.

Role of directed van der Waals bonded interactions in the determination of the structures of molecular arsenate solids.

Gibbs GV, Wallace AF, Cox DF, Dove PM, Downs RT, Ross NL, Rosso KM.

J Phys Chem A. 2009 Jan 29;113(4):736-49. doi: 10.1021/jp807666b.

PMID:
19123777
9.

Van der waals and polar intermolecular contact distances: quantifying supramolecular synthons.

Ganguly P, Desiraju GR.

Chem Asian J. 2008 May 5;3(5):868-80. doi: 10.1002/asia.200700343.

PMID:
18386268
10.

Cooperativity in long α- and 3(10)-helical polyalanines: both electrostatic and van der Waals interactions are essential.

Hua S, Xu L, Li W, Li S.

J Phys Chem B. 2011 Oct 6;115(39):11462-9. doi: 10.1021/jp203423w.

PMID:
21859141
11.

Electronic structure, binding energy, and solvation structure of the streptavidin-biotin supramolecular complex: ONIOM and 3D-RISM study.

Li Q, Gusarov S, Evoy S, Kovalenko A.

J Phys Chem B. 2009 Jul 23;113(29):9958-67. doi: 10.1021/jp902668c.

PMID:
19545155
12.

Quantitative study of interactions between oxygen lone pair and aromatic rings: substituent effect and the importance of closeness of contact.

Gung BW, Zou Y, Xu Z, Amicangelo JC, Irwin DG, Ma S, Zhou HC.

J Org Chem. 2008 Jan 18;73(2):689-93.

PMID:
18081348
13.

Molecular recognition thermodynamics of pyridine derivatives by sulfonatocalixarenes at different pH values.

Liu Y, Ma YH, Chen Y, Guo DS, Li Q.

J Org Chem. 2006 Aug 18;71(17):6468-73.

PMID:
16901132
14.

Van der Waals interactions in density functional theory using Wannier functions.

Silvestrelli PL.

J Phys Chem A. 2009 Apr 30;113(17):5224-34. doi: 10.1021/jp811138n.

PMID:
19344144
15.

Self-consistent implementation of a nonlocal van der Waals density functional with a Gaussian basis set.

Vydrov OA, Wu Q, Van Voorhis T.

J Chem Phys. 2008 Jul 7;129(1):014106. doi: 10.1063/1.2948400.

PMID:
18624469
16.

Can density functional theory describe the NO(X2Π)-Ar and NO(A2Σ+)-Ar van der Waals complexes?

Ershova OV, Besley NA.

J Chem Phys. 2012 Jun 28;136(24):244313. doi: 10.1063/1.4730302.

PMID:
22755580
17.

1,1-Dichloroethane: a molecular crystal structure without van der Waals contacts?

Bujak M, Podsiadło M, Katrusiak A.

J Phys Chem B. 2008 Jan 31;112(4):1184-8. doi: 10.1021/jp075491p.

PMID:
18181597
18.

(E)-2-[(4-chlorophenyl)iminomethyl]-5-methoxyphenol and (E)-2-[(2-chlorophenyl)iminomethyl]-5-methoxyphenol: X-ray and DFT-calculated structures.

Koşar B, Albayrak C, Odabaşoğlu M, Büyükgüngör O.

Acta Crystallogr C. 2009 Oct;65(Pt 10):o517-20. doi: 10.1107/S0108270109034350.

PMID:
19805885
19.

The relationship between crystal structure and methyl and t-butyl group dynamics in van der Waals organic solids.

Beckmann PA, Paty C, Allocco E, Herd M, Kuranz C, Rheingold AL.

J Chem Phys. 2004 Mar 15;120(11):5309-14.

PMID:
15267402
20.

The strength of parallel-displaced arene-arene interactions in chloroform.

Gung BW, Xue X, Reich HJ.

J Org Chem. 2005 Apr 29;70(9):3641-4.

PMID:
15845001
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