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Items: 1 to 20 of 145

1.

Cooperativity of halogen, chalcogen, and pnictogen bonds in infinite molecular chains by electronic structure theory.

George J, Deringer VL, Dronskowski R.

J Phys Chem A. 2014 May 1;118(17):3193-200. doi: 10.1021/jp5015302. Epub 2014 Apr 18.

PMID:
24712662
2.

Unraveling Interactions in Molecular Crystals Using Dispersion Corrected Density Functional Theory: The Case of the Epoxydihydroarsanthrene Molecules.

Otero-de-la-Roza A, Luaña V, Tiekink ER, Zukerman-Schpector J.

J Chem Theory Comput. 2014 Nov 11;10(11):5010-9. doi: 10.1021/ct500832g.

PMID:
26584384
3.

Plane-Wave Density Functional Theory Meets Molecular Crystals: Thermal Ellipsoids and Intermolecular Interactions.

Deringer VL, George J, Dronskowski R, Englert U.

Acc Chem Res. 2017 May 16;50(5):1231-1239. doi: 10.1021/acs.accounts.7b00067. Epub 2017 May 3.

PMID:
28467707
4.

Tetrel Bonds in Infinite Molecular Chains by Electronic Structure Theory and Their Role for Crystal Stabilization.

George J, Dronskowski R.

J Phys Chem A. 2017 Feb 16;121(6):1381-1387. doi: 10.1021/acs.jpca.6b12732. Epub 2017 Feb 2.

PMID:
28106396
5.

The pnicogen bond: its relation to hydrogen, halogen, and other noncovalent bonds.

Scheiner S.

Acc Chem Res. 2013 Feb 19;46(2):280-8. doi: 10.1021/ar3001316. Epub 2012 Nov 7.

PMID:
23135342
6.

Cyclic aromatic systems with hypervalent centers.

Minkin VI, Minyaev RM.

Chem Rev. 2001 May;101(5):1247-65.

PMID:
11710220
7.

Modeling cooperative effects in halogen-bonded infinite linear chains.

Adasme-Carreño F, Alzate-Morales J, Ireta J.

Phys Chem Chem Phys. 2017 Jul 19;19(28):18529-18538. doi: 10.1039/c7cp03078a.

PMID:
28682384
8.

Halogen Bonding from Dispersion-Corrected Density-Functional Theory: The Role of Delocalization Error.

Otero-de-la-Roza A, Johnson ER, DiLabio GA.

J Chem Theory Comput. 2014 Dec 9;10(12):5436-47. doi: 10.1021/ct500899h.

PMID:
26583227
9.

Attochemistry of Ionized Halogen, Chalcogen, Pnicogen, and Tetrel Noncovalent Bonded Clusters.

Chandra S, Bhattacharya A.

J Phys Chem A. 2016 Dec 29;120(51):10057-10071. doi: 10.1021/acs.jpca.6b09813. Epub 2016 Dec 2.

PMID:
28030953
10.

Interplay between halogen bonds and hydrogen bonds in OH/SH···HOX···HY (X = Cl, Br; Y = F, Cl, Br) complexes.

Wu W, Zeng Y, Li X, Zhang X, Zheng S, Meng L.

J Mol Model. 2013 Mar;19(3):1069-77. doi: 10.1007/s00894-012-1657-z. Epub 2012 Nov 1.

PMID:
23114432
11.

Halogen bonds in crystal engineering: like hydrogen bonds yet different.

Mukherjee A, Tothadi S, Desiraju GR.

Acc Chem Res. 2014 Aug 19;47(8):2514-24. doi: 10.1021/ar5001555. Epub 2014 May 29.

PMID:
25134974
12.

Dimensionality of intermolecular interactions in layered crystals by electronic-structure theory and geometric analysis.

George J, Deringer VL, Dronskowski R.

Inorg Chem. 2015 Feb 2;54(3):956-62. doi: 10.1021/ic5023328. Epub 2014 Nov 3.

PMID:
25363246
13.

How does halogen bonding behave in solution? A theoretical study using implicit solvation model.

Lu Y, Li H, Zhu X, Zhu W, Liu H.

J Phys Chem A. 2011 May 5;115(17):4467-75. doi: 10.1021/jp111616x. Epub 2011 Apr 5.

PMID:
21466189
14.

Cooperativity in Tetrel Bonds.

Marín-Luna M, Alkorta I, Elguero J.

J Phys Chem A. 2016 Feb 4;120(4):648-56. doi: 10.1021/acs.jpca.5b11876. Epub 2016 Jan 20.

PMID:
26756083
15.

Structure-Energy Relationships of Halogen Bonds in Proteins.

Scholfield MR, Ford MC, Carlsson AC, Butta H, Mehl RA, Ho PS.

Biochemistry. 2017 Jun 6;56(22):2794-2802. doi: 10.1021/acs.biochem.7b00022. Epub 2017 Apr 22.

PMID:
28345933
16.

The dominant role of chalcogen bonding in the crystal packing of 2D/3D aromatics.

Fanfrlík J, Přáda A, Padělková Z, Pecina A, Macháček J, Lepšík M, Holub J, Růžička A, Hnyk D, Hobza P.

Angew Chem Int Ed Engl. 2014 Sep 15;53(38):10139-42. doi: 10.1002/anie.201405901. Epub 2014 Jul 27.

PMID:
25066639
17.

Tetrel, pnictogen and chalcogen bonds identified in the gas phase before they had names: a systematic look at non-covalent interactions.

Legon AC.

Phys Chem Chem Phys. 2017 Jun 14;19(23):14884-14896. doi: 10.1039/c7cp02518a.

PMID:
28561824
18.

The halogen-bonded adduct 1,4-bis(pyri-din-4-yl)buta-1,3-diyne-1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8-hexa-deca-fluoro-1,8-diiodo-octane (1/1).

Cavallo G, Marras G, Metrangolo P, Pilati T, Terraneo G.

Acta Crystallogr Sect E Struct Rep Online. 2013 Mar 1;69(Pt 3):o328-9. doi: 10.1107/S1600536813001888. Epub 2013 Feb 2.

19.

Halogen-bonded adduct of 1,2-dibromo-1,1,2,2-tetrafluoroethane and 1,4-diazabicyclo[2.2.2]octane.

Brisdon AK, Muneer AM, Pritchard RG.

Acta Crystallogr C Struct Chem. 2015 Oct;71(Pt 10):900-2. doi: 10.1107/S2053229615016472. Epub 2015 Sep 18.

PMID:
26422219
20.

"Additive" cooperativity of hydrogen bonds in complexes of catechol with proton acceptors in the gas phase: FTIR spectroscopy and quantum chemical calculations.

Varfolomeev MA, Klimovitskii AE, Abaidullina DI, Madzhidov TI, Solomonov BN.

Spectrochim Acta A Mol Biomol Spectrosc. 2012 Jun;91:75-82. doi: 10.1016/j.saa.2012.01.061. Epub 2012 Feb 2.

PMID:
22366617

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