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The Tetrel Bonds of Hypervalent Halogen Compounds. Molecules. 2023 Oct 14; 28(20).
Niu Z, McDowell SAC, Li Q. PMID: 37894566; PMCID: PMC10609133.
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Triel Bonds with Au Atoms as Electron Donors. Chemphyschem. 2023 Mar 14; 24(6):e202200748.
Niu Z, McDowell SAC, Li Q. PMID: 36448371.
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1 Fields:
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Reliable Comparison of Pnicogen, Chalcogen, and Halogen Bonds in Complexes of 6-OXF2-Fulvene (X = As, Sb, Se, Te, Be, I) With Three Electron Donors. Front Chem. 2020; 8:608486.
Liu N, Li Q, McDowell SAC. PMID: 33425859; PMCID: PMC7793776.
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Interactions in Model Ionic Dyads and Triads Containing Tetrel Atoms. Molecules. 2020 Sep 14; 25(18).
McDowell SAC, Wang R, Li Q. PMID: 32937741; PMCID: PMC7570900.
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The effect of anions on noncovalent interactions in model clusters of chalcogen-containing (CH3)2X (X = O, S, Se) molecules. Phys Chem Chem Phys. 2018 Jul 11; 20(27):18420-18428.
McDowell SAC. PMID: 29947388.
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A Computational Study of Chalcogen-containing H2 X…YF and (CH3 )2 X…YF (X=O, S, Se; Y=F, Cl, H) and Pnicogen-containing H3 X'…YF and (CH3 )3 X'…YF (X'=N, P, As) Complexes. Chemphyschem. 2018 07 17; 19(14):1756-1765.
McDowell SAC, Buckingham AD. PMID: 29679422.
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4 Fields:
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Influence of the protonation of pyridine nitrogen on pnicogen bonding: competition and cooperativity. Phys Chem Chem Phys. 2016 Apr 28; 18(16):11348-56.
Wei Y, Li Q, Li W, Cheng J, McDowell SA. PMID: 27055488.
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1 Fields:
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Comparative computational study of model halogen-bonded complexes of FKrCl. J Phys Chem A. 2015 Mar 19; 119(11):2568-77.
Joseph JA, McDowell SA. PMID: 25317857.
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The effect of atomic ions on model σ-hole bonded complexes of AH3Y (A = C, Si, Ge; Y = F, Cl, Br). Phys Chem Chem Phys. 2014 Jun 14; 16(22):10854-60.
McDowell SA, Joseph JA. PMID: 24760198.
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10 Fields:
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Variation of sigma-hole magnitude with M valence electron population in MX(n)Y(4-n) molecules (n = 1-4; M = C, Si, Ge; X, Y = F, Cl, Br). Phys Chem Chem Phys. 2014 Jan 14; 16(2):669-71.
McDowell SA, Joseph JA. PMID: 24263466.
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Cooperative effects in FH/Li⋯HCCX⋯OH2 complexes (X=F, Cl, Br, H). Spectrochim Acta A Mol Biomol Spectrosc. 2015 Feb 05; 136 Pt A:27-31.
McDowell SA, Buckingham AD. PMID: 24231249.
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2 Fields:
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Cooperative effects in novel LiF∕HF⋯LiF⋯XF (X = F, Cl, Br) clusters. J Chem Phys. 2013 Apr 28; 138(16):164313.
McDowell SA, Joseph JA. PMID: 23635144.
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Communication: An unusual halogen-bonding motif: the LiBr···BrF dimer as a model system. J Chem Phys. 2012 Nov 07; 137(17):171103.
McDowell SA, Joseph JA. PMID: 23145710.
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Cooperative effects of noncovalent bonds to the Br atom of halogen-bonded H3N...BrZ and HCN...BrZ (Z = F, Br) complexes. J Chem Phys. 2012 Aug 21; 137(7):074310.
McDowell SA, Joseph JA. PMID: 22920123.
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1 Fields:
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Cooperative effects of hydrogen, lithium and halogen bonding on F-H/LiOH2 complexes. Phys Chem Chem Phys. 2012 May 21; 14(19):6883-8.
McDowell SA, Yarde HK. PMID: 22473361.
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3 Fields:
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A comparative computational study of FKrCCH...Y, FCCKrH...Y, and FCCH...Y complexes (Y = BF, CO, N2, OH2, OH(CH3), O(CH3)2). J Chem Phys. 2012 Mar 28; 136(12):124306.
McDowell SA, Volney GS. PMID: 22462856.
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A theoretical study of hydrogen- and lithium-bonded complexes of F-H∕Li and Cl-H∕Li with NF3, NH3, and NH2(CH3). J Chem Phys. 2011 Oct 28; 135(16):164303.
McDowell SA, St Hill JA. PMID: 22047235.
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5 Fields:
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Cooperative hydrogen bonding in trimers involving HCN and HBO. Phys Chem Chem Phys. 2011 Aug 21; 13(31):14097-100.
McDowell SA, Buckingham AD. PMID: 21633735.
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1 Fields:
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A comparative computational study of hydrogen and lithium-bonded complexes. J Chem Phys. 2010 Oct 14; 133(14):144307.
McDowell SA, Marcellin RC. PMID: 20950000.
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Cooperative and diminutive hydrogen bonding in Y...HCN...HCN and NCH...Y...HCN trimers (Y=BF,CO,N2). J Chem Phys. 2010 Feb 14; 132(6):064303.
McDowell SA, Buckingham AD. PMID: 20151739.
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2 Fields:
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Halogen and hydrogen bonding to the Br atom in complexes of FBr. J Chem Phys. 2010 Jan 28; 132(4):044312.
McDowell SA. PMID: 20113038.
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AnimalsCells
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Displacement of the proton in hydrogen-bonded complexes of hydrogen fluoride by beryllium and magnesium ions. J Chem Phys. 2009 May 14; 130(18):184312.
McDowell SA. PMID: 19449926.
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Comment on "theoretical acquirement of the red shift of nu(F-H) upon complexation with Ne" by Guoqun Liu and Xianxi Zhang [Spectrochim. Acta Part A 69 (2008) 917-920]. Spectrochim Acta A Mol Biomol Spectrosc. 2008 Dec 15; 71(4):1628-9.
McDowell SA. PMID: 18676198.
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A comparative study of some red- and blue-shifted linear H-bonded complexes of N2. J Comput Chem. 2008 Jan 30; 29(2):298-305.
McDowell SA. PMID: 17573674.
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On the correlation between bond-length change and vibrational frequency shift in hydrogen-bonded complexes: a computational study of Y...HCl dimers (Y = N2, CO, BF). J Am Chem Soc. 2005 Nov 09; 127(44):15515-20.
McDowell SA, Buckingham AD. PMID: 16262415.
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7 Fields:
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Redshift and blueshift of the Ar-H vibrational stretching frequency in complexes of FArH and acetylene. J Chem Phys. 2005 May 22; 122(20):204309.
McDowell SA. PMID: 15945726.
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Comparison of some vibrational features of FArH...Rg and FHc...Rg complexes (Rg=He, Ne, Ar, Kr). Spectrochim Acta A Mol Biomol Spectrosc. 2005 May; 61(7):1603-9.
McDowell SA, Buckingham AD. PMID: 15820894.
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1 Fields:
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A computational study of the dihydrogen bonded complexes HBeH ... HArF and HBeH ... HKrF. J Chem Phys. 2004 Sep 22; 121(12):5728-32.
McDowell SA. PMID: 15366996.
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Are insertion compounds of CH2CHF and the rare gases stable? A computational study. J Chem Phys. 2004 May 15; 120(19):9077-9.
McDowell SA. PMID: 15267842.
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Intermolecular complexes of HArF and HKrF with CO. J Chem Phys. 2004 Feb 22; 120(8):3630-4.
McDowell SA. PMID: 15268524.
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A computational study of the LiH dimer. J Comput Chem. 2003 Jul 30; 24(10):1201-7.
McDowell SA. PMID: 12820127.
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