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Page 1

Two-way effects between hydrogen bond and intramolecular resonance effect: an ab initio study on complexes of formamide and its derivatives with water.

Liu T, Li H, Huang MB, Duan Y, Wang ZX. Liu T, et al. J Phys Chem A. 2008 Jun 19;112(24):5436-47. doi: 10.1021/jp712052e. Epub 2008 May 27. J Phys Chem A. 2008. PMID: 18503289

Ab initio study of hydrogen-bond formation between aliphatic and phenolic hydroxy groups and selected amino acid side chains.

Nagy PI, Erhardt PW. Nagy PI, et al. J Phys Chem A. 2008 May 8;112(18):4342-54. doi: 10.1021/jp7108847. Epub 2008 Mar 29. J Phys Chem A. 2008. PMID: 18373368

Characteristics of antiaromatic ring pi multi-hydrogen bonds in (H2O)n-C4H4 (n = 1, 2) complexes.

Jing YQ, Li ZR, Wu D, Li Y, Wang BQ, Sun CC. Jing YQ, et al. J Phys Chem A. 2006 Jun 15;110(23):7470-6. doi: 10.1021/jp060823w. J Phys Chem A. 2006. PMID: 16759137

HC[triple bond]P and H3C-C[triple bond]P as proton acceptors in protonated complexes containing two phosphorus bases: structures, binding energies, and spin-spin coupling constants.

Alkorta I, Elguero J, Bene JE. Alkorta I, et al. J Phys Chem A. 2007 Oct 4;111(39):9924-30. doi: 10.1021/jp073519r. Epub 2007 Aug 31. J Phys Chem A. 2007. PMID: 17760429

Ab initio EOM-CCSD spin-spin coupling constants for hydrogen-bonded formamide complexes: bridging complexes with NH3, (NH3)2, H2O, (H2O)2, FH, and (FH)2.

Del Bene JE, Alkorta I, Elguero J. Del Bene JE, et al. J Phys Chem A. 2008 Jul 17;112(28):6338-43. doi: 10.1021/jp801519v. Epub 2008 Jun 21. J Phys Chem A. 2008. PMID: 18570358

Ab initio study of hydrogen-bond formation between cyclic ethers and selected amino acid side chains.

Nagy PI, Erhardt PW. Nagy PI, et al. J Phys Chem A. 2006 Dec 28;110(51):13923-32. doi: 10.1021/jp061113t. J Phys Chem A. 2006. PMID: 17181352

A study of N-methylacetamide in water clusters: based on atom-bond electronegativity equalization method fused into molecular mechanics.

Yang ZZ, Qian P. Yang ZZ, et al. J Chem Phys. 2006 Aug 14;125(6):64311. doi: 10.1063/1.2210940. J Chem Phys. 2006. PMID: 16942290

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. El-Shall MS, et al. J Am Chem Soc. 2009 Jul 29;131(29):10066-76. doi: 10.1021/ja901130d. J Am Chem Soc. 2009. PMID: 19621961

Mechanism of the hydration of carbon dioxide: direct participation of H2O versus microsolvation.

Nguyen MT, Matus MH, Jackson VE, Vu TN, Rustad JR, Dixon DA. Nguyen MT, et al. J Phys Chem A. 2008 Oct 16;112(41):10386-98. doi: 10.1021/jp804715j. Epub 2008 Sep 25. J Phys Chem A. 2008. PMID: 18816037

Nature of the N-H...S hydrogen bond.

Biswal HS, Wategaonkar S. Biswal HS, et al. J Phys Chem A. 2009 Nov 19;113(46):12763-73. doi: 10.1021/jp907658w. J Phys Chem A. 2009. PMID: 19831376

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