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Journal Abstract Search
1385 related items for PubMed ID: 21978376
1. Electronic properties of hydrogen-bonded complexes of benzene(HCN)(1-4): comparison with benzene(H2O)(1-4). Mateus MP, Galamba N, Cabral BJ. J Phys Chem A; 2011 Nov 24; 115(46):13714-23. PubMed ID: 21978376 [Abstract] [Full Text] [Related]
2. Stepwise association of hydrogen cyanide and acetonitrile with the benzene radical cation: structures and binding energies of (C6H6•+)(HCN)n, n = 1-6, and (C6H6•+)(CH3CN)n, n = 1-4, clusters. Hamid AM, Soliman AR, El-Shall MS. J Phys Chem A; 2013 Feb 14; 117(6):1069-78. PubMed ID: 22671581 [Abstract] [Full Text] [Related]
3. Substituent effects on noncovalent bonds: complexes of ionized benzene derivatives with hydrogen cyanide. Attah IK, Hamid AM, Meot-Ner Mautner M, El-Shall MS, Aziz SG, Alyoubi AO. J Phys Chem A; 2013 Oct 17; 117(41):10588-97. PubMed ID: 24024653 [Abstract] [Full Text] [Related]
4. Reactions between aromatic hydrocarbons and heterocycles: covalent and proton-bound dimer cations of benzene/pyridine. El-Shall MS, Ibrahim YM, Alsharaeh EH, Meot-Ner Mautner M, Watson SP. J Am Chem Soc; 2009 Jul 29; 131(29):10066-76. PubMed ID: 19621961 [Abstract] [Full Text] [Related]
5. Magnitude and nature of carbohydrate-aromatic interactions: ab initio calculations of fucose-benzene complex. Tsuzuki S, Uchimaru T, Mikami M. J Phys Chem B; 2009 Apr 23; 113(16):5617-21. PubMed ID: 19331351 [Abstract] [Full Text] [Related]
6. Theoretical analysis based on X-H bonding strength and electronic properties in red- and blue-shifting hydrogen-bonded X-H···π complexes. Donoso-Tauda O, Jaque P, Santos JC. Phys Chem Chem Phys; 2011 Jan 28; 13(4):1552-9. PubMed ID: 21116561 [Abstract] [Full Text] [Related]
7. Ab initio quantum mechanics analysis of imidazole C-H...O water hydrogen bonding and a molecular mechanics forcefield correction. Ornstein RL, Zheng YJ. J Biomol Struct Dyn; 1997 Jun 28; 14(6):657-65. PubMed ID: 9195335 [Abstract] [Full Text] [Related]
8. Nature of the N-H...S hydrogen bond. Biswal HS, Wategaonkar S. J Phys Chem A; 2009 Nov 19; 113(46):12763-73. PubMed ID: 19831376 [Abstract] [Full Text] [Related]
9. Theoretical study of binding interactions and vibrational Raman spectra of water in hydrogen-bonded anionic complexes: (H2O)n- (n = 2 and 3), H2O...X- (X = F, Cl, Br, and I), and H2O...M- (M = Cu, Ag, and Au). Wu DY, Duan S, Liu XM, Xu YC, Jiang YX, Ren B, Xu X, Lin SH, Tian ZQ. J Phys Chem A; 2008 Feb 14; 112(6):1313-21. PubMed ID: 18215023 [Abstract] [Full Text] [Related]
12. Effect of the substituent and hydrogen bond on the geometry and electronic properties of OH and O(-) groups in para-substituted phenol and phenolate derivatives. Szatylowicz H, Krygowski TM. J Phys Chem A; 2010 Oct 14; 114(40):10885-90. PubMed ID: 20853885 [Abstract] [Full Text] [Related]
15. Ab initio study of ternary complexes X:(HCNH)(+):Z with X, Z = NCH, CNH, FH, ClH, and FCl: diminutive cooperative effects on structures, binding energies, and spin-spin coupling constants across hydrogen bonds. Del Bene JE, Alkorta I, Elguero J. J Phys Chem A; 2011 Nov 17; 115(45):12677-87. PubMed ID: 21639084 [Abstract] [Full Text] [Related]
16. Theoretical study of the interplay between lithium bond and hydrogen bond in complexes involved with HLi and HCN. Li Q, Hu T, An X, Li W, Cheng J, Gong B, Sun J. Chemphyschem; 2009 Dec 21; 10(18):3310-5. PubMed ID: 19830767 [Abstract] [Full Text] [Related]