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Items: 1 to 20 of 114

1.

Intramolecular pnicogen interactions in PHF-(CH2)(n)-PHF (n=2-6) systems.

Sánchez-Sanz G, Alkorta I, Trujillo C, Elguero J.

Chemphyschem. 2013 Jun 3;14(8):1656-65. doi: 10.1002/cphc.201300145. Epub 2013 Mar 28.

PMID:
23553906
2.

Exploring (NH2F)2, H2FP:NFH2, and (PH2F)2 potential surfaces: hydrogen bonds or pnicogen bonds?

Alkorta I, Sánchez-Sanz G, Elguero J, Del Bene JE.

J Phys Chem A. 2013 Jan 10;117(1):183-91. doi: 10.1021/jp3100816. Epub 2012 Dec 20.

PMID:
23256619
3.

Characterizing complexes with pnicogen bonds involving sp2 hybridized phosphorus atoms: (H2C═PX)2 with X = F, Cl, OH, CN, NC, CCH, H, CH3, and BH2.

Del Bene JE, Alkorta I, Elguero J.

J Phys Chem A. 2013 Aug 8;117(31):6893-903. doi: 10.1021/jp4063109. Epub 2013 Jul 30.

PMID:
23899399
4.

Intramolecular pnicogen interactions in phosphorus and arsenic analogues of proton sponges.

Sánchez-Sanz G, Trujillo C, Alkorta I, Elguero J.

Phys Chem Chem Phys. 2014 Aug 14;16(30):15900-9. doi: 10.1039/c4cp01072h.

PMID:
24964032
5.

Substitution, cooperative, and solvent effects on π pnicogen bonds in the FH(2)P and FH(2)As complexes.

An XL, Li R, Li QZ, Liu XF, Li WZ, Cheng JB.

J Mol Model. 2012 Sep;18(9):4325-32. doi: 10.1007/s00894-012-1445-9. Epub 2012 May 9.

PMID:
22570082
6.

Competition of hydrogen, halogen, and pnicogen bonds in the complexes of HArF with XH2P (X=F, Cl, and Br).

Liu X, Cheng J, Li Q, Li W.

Spectrochim Acta A Mol Biomol Spectrosc. 2013 Jan 15;101:172-7. doi: 10.1016/j.saa.2012.09.043. Epub 2012 Sep 28.

PMID:
23103457
7.

Pnicogen bonds between X═PH3 (X = O, S, NH, CH2) and phosphorus and nitrogen bases.

Alkorta I, Sánchez-Sanz G, Elguero J, Del Bene JE.

J Phys Chem A. 2014 Feb 27;118(8):1527-37. doi: 10.1021/jp411623h. Epub 2014 Feb 18.

PMID:
24547683
8.

Pnicogen bonds: a theoretical study based on the Laplacian of electron density.

Eskandari K, Mahmoodabadi N.

J Phys Chem A. 2013 Dec 5;117(48):13018-24. doi: 10.1021/jp4098974. Epub 2013 Nov 19.

PMID:
24246034
9.

Electron propagator theory study of N-/O-methylglycine conformers.

Tian SX.

J Chem Phys. 2005 Dec 22;123(24):244310.

PMID:
16396540
10.

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
11.

Chiral discrimination in dimers of diphosphines PH₂-PH₂ and PH₂-PHF.

Azofra LM, Alkorta I, Elguero J.

Chemphyschem. 2014 Nov 10;15(16):3663-70. doi: 10.1002/cphc.201402086. Epub 2014 May 18.

PMID:
24838830
12.

Non-additivity between substitution and cooperative effects in enhancing hydrogen bonds.

Zhuo H, Li Q, Li W, Cheng J.

J Chem Phys. 2014 Dec 28;141(24):244305. doi: 10.1063/1.4904294.

PMID:
25554149
13.

Phosphorus as a simultaneous electron-pair acceptor in intermolecular P···N pnicogen bonds and electron-pair donor to Lewis acids.

Del Bene JE, Alkorta I, Sánchez-Sanz G, Elguero J.

J Phys Chem A. 2013 Apr 11;117(14):3133-41. doi: 10.1021/jp401480y. Epub 2013 Mar 27.

PMID:
23534836
14.

Pnicogen bonded complexes of PO2X (X = F, Cl) with nitrogen bases.

Alkorta I, Elguero J, Del Bene JE.

J Phys Chem A. 2013 Oct 10;117(40):10497-503. doi: 10.1021/jp407097e. Epub 2013 Sep 17.

PMID:
24044522
16.

N, P, and As ylides and aza- and arsa-Wittig reactions from topological analyses of electron density.

Sánchez-González Á, Melchor S, Dobado JA, Silvi B, Andrés J.

J Phys Chem A. 2011 Jul 28;115(29):8316-26. doi: 10.1021/jp204441p. Epub 2011 Jul 7.

PMID:
21736317
17.

Mutual influence between anion-π and pnicogen bond interactions: the enhancement of P⋯N and P⋯O interactions by an anion-π bond.

Esrafili MD, Mohammadian-Sabet F, Solimannejad M.

J Mol Graph Model. 2015 Apr;57:99-105. doi: 10.1016/j.jmgm.2015.01.010. Epub 2015 Feb 4.

PMID:
25698102
18.

Application of polarizable ellipsoidal force field model to pnicogen bonds.

Liu F, Du L, Gao J, Wang L, Song B, Liu C.

J Comput Chem. 2015 Mar 15;36(7):441-8. doi: 10.1002/jcc.23819. Epub 2015 Jan 6.

PMID:
25565043
19.

Structures, binding energies, and spin-spin coupling constants of geometric isomers of pnicogen homodimers (PHFX)2, X = F, Cl, CN, CH3, NC.

Del Bene JE, Alkorta I, Sanchez-Sanz G, Elguero J.

J Phys Chem A. 2012 Mar 22;116(11):3056-60. doi: 10.1021/jp300763d. Epub 2012 Mar 8.

PMID:
22401709
20.

Structures, energies, bonding, and NMR properties of pnicogen complexes H2XP:NXH2 (X ═ H, CH3, NH2, OH, F, Cl).

Del Bene JE, Alkorta I, Sanchez-Sanz G, Elguero J.

J Phys Chem A. 2011 Nov 24;115(46):13724-31. doi: 10.1021/jp2094164. Epub 2011 Nov 2.

PMID:
22047040
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