162 related articles for article (PubMed ID: 11717485)
21. N-H...O, O-H...O, and C-H...O hydrogen bonds in protein-ligand complexes: strong and weak interactions in molecular recognition.
Sarkhel S; Desiraju GR
Proteins; 2004 Feb; 54(2):247-59. PubMed ID: 14696187
[TBL] [Abstract][Full Text] [Related]
22. A study of solvent polarity and hydrogen bonding effects on the nitrogen NMR shielding of isomeric tetrazoles and ab initio calculation of the nitrogen shielding of azole systems.
Witanowski M; Biedrzycka Z; Sicinska W; Grabowski Z
J Magn Reson; 1998 Mar; 131(1):54-60. PubMed ID: 9533906
[TBL] [Abstract][Full Text] [Related]
23. Prediction of the intrinsic hydrogen bond acceptor strength of chemical substances from molecular structure.
Schwöbel J; Ebert RU; Kühne R; Schüürmann G
J Phys Chem A; 2009 Sep; 113(37):10104-12. PubMed ID: 19694415
[TBL] [Abstract][Full Text] [Related]
24. B3LYP and MP2 calculations of the enthalpies of hydrogen-bonded complexes of methanol with neutral bases and anions: comparison with experimental data.
Koné M; Illien B; Graton J; Laurence C
J Phys Chem A; 2005 Dec; 109(51):11907-13. PubMed ID: 16366642
[TBL] [Abstract][Full Text] [Related]
25. Intramolecular hydrogen bonding in disubstituted ethanes. A comparison of NH...O- and OH...O- Hydrogen bonding through conformational analysis of 4-amino-4-oxobutanoate (succinamate) and monohydrogen 1,4-butanoate (monohydrogen succinate) anions.
Rudner MS; Jeremic S; Petterson KA; Kent DR; Brown KA; Drake MD; Goddard WA; Roberts JD
J Phys Chem A; 2005 Oct; 109(40):9076-82. PubMed ID: 16332014
[TBL] [Abstract][Full Text] [Related]
26. Bonding in tropolone, 2-aminotropone, and aminotroponimine: no evidence of resonance-assisted hydrogen-bond effects.
Sanz P; Mó O; Yáñez M; Elguero J
Chemistry; 2008; 14(14):4225-32. PubMed ID: 18381721
[TBL] [Abstract][Full Text] [Related]
27. Homonuclear versus heteronuclear resonance-assisted hydrogen bonds: tautomerism, aromaticity, and intramolecular hydrogen bonding in heterocyclic systems with different exocyclic proton donor/acceptor.
Zubatyuk RI; Shishkin OV; Gorb L; Leszczynski J
J Phys Chem A; 2009 Mar; 113(12):2943-52. PubMed ID: 19296712
[TBL] [Abstract][Full Text] [Related]
28. alpha- and beta-FOX-7, polymorphs of a high energy density material, studied by X-ray single crystal and powder investigations in the temperature range from 200 to 423 K.
Evers J; Klapötke TM; Mayer P; Oehlinger G; Welch J
Inorg Chem; 2006 Jun; 45(13):4996-5007. PubMed ID: 16780321
[TBL] [Abstract][Full Text] [Related]
29. Dipolar C[triple-bond]N...C[triple-bond]N interactions in organic crystal structures: database analysis and calculation of interaction energies.
Wood PA; Borwick SJ; Watkin DJ; Motherwell WD; Allen FH
Acta Crystallogr B; 2008 Jun; 64(Pt 3):393-6. PubMed ID: 18490829
[TBL] [Abstract][Full Text] [Related]
30. Density functional theory and atoms-in-molecules investigation of intramolecular hydrogen bonding in derivatives of malonaldehyde and implications for resonance-assisted hydrogen bonding.
Woodford JN
J Phys Chem A; 2007 Aug; 111(34):8519-30. PubMed ID: 17683126
[TBL] [Abstract][Full Text] [Related]
31. Ab initio study of hydrogen bonding and proton transfer in 3:1 FH:NH3 and FH:collidine complexes: structures and one- and two-bond coupling constants across hydrogen bonds.
Del Bene JE; Elguero J
J Phys Chem A; 2006 Jan; 110(3):1128-33. PubMed ID: 16420017
[TBL] [Abstract][Full Text] [Related]
32. Interplay between hydrogen-bond formation and multicenter pi-electron delocalization: intramolecular hydrogen bonds.
Lenain P; Mandado M; Mosquera RA; Bultinck P
J Phys Chem A; 2008 Oct; 112(42):10689-96. PubMed ID: 18821741
[TBL] [Abstract][Full Text] [Related]
33. Investigation of intermolecular hydrogen bond interactions in crystalline L-cysteine by DFT calculations of the oxygen-17, nitrogen-14, and hydrogen-2 EFG tensors and AIM analysis.
Nozad AG; Meftah S; Ghasemi MH; Kiyani RA; Aghazadeh M
Biophys Chem; 2009 Apr; 141(1):49-58. PubMed ID: 19168275
[TBL] [Abstract][Full Text] [Related]
34. Steric and hydrogen-bonding effects on the stability of copper complexes with small molecules.
Wada A; Honda Y; Yamaguchi S; Nagatomo S; Kitagawa T; Jitsukawa K; Masuda H
Inorg Chem; 2004 Sep; 43(18):5725-35. PubMed ID: 15332825
[TBL] [Abstract][Full Text] [Related]
35. Accounting for the differences in the structures and relative energies of the highly homoatomic np pi-np pi (n > or = 3)-bonded S2I4 2+, the Se-I pi-bonded Se2I4 2+, and their higher-energy isomers by AIM, MO, NBO, and VB methodologies.
Brownridge S; Crawford MJ; Du H; Harcourt RD; Knapp C; Laitinen RS; Passmore J; Rautiainen JM; Suontamo RJ; Valkonen J
Inorg Chem; 2007 Feb; 46(3):681-99. PubMed ID: 17257010
[TBL] [Abstract][Full Text] [Related]
36. PCM study of the solvent and substituent effects on the conformers, intramolecular hydrogen bonds and bond dissociation enthalpies of 2-substituted phenols.
Lithoxoidou AT; Bakalbassis EG
J Phys Chem A; 2005 Jan; 109(2):366-77. PubMed ID: 16833355
[TBL] [Abstract][Full Text] [Related]
37. Different types of hydrogen bonds in 2-substituted pyrroles and 1-vinyl pyrroles as monitored by (1)H, (13)C and (15)N NMR spectroscopy and ab initio calculations.
Afonin AV; Ushakov IA; Sobenina LN; Stepanova ZV; Petrova OV; Trofimov BA
Magn Reson Chem; 2006 Jan; 44(1):59-65. PubMed ID: 16259054
[TBL] [Abstract][Full Text] [Related]
38. Active site contacts in the purine nucleoside phosphorylase--hypoxanthine complex by NMR and ab initio calculations.
Deng H; Cahill SM; Abad JL; Lewandowicz A; Callender RH; Schramm VL; Jones RA
Biochemistry; 2004 Dec; 43(50):15966-74. PubMed ID: 15595853
[TBL] [Abstract][Full Text] [Related]
39. Geometry and bond-length alternation in nonlinear optical materials. II. Effects of donor strength in two push-pull molecules.
Gainsford GJ; Bhuiyan MD; Kay AJ
Acta Crystallogr C; 2008 Apr; 64(Pt 4):o195-8. PubMed ID: 18391387
[TBL] [Abstract][Full Text] [Related]
40. pi-Bond cooperativity and anticooperativity effects in resonance-assisted hydrogen bonds (RAHBs).
Bertolasi V; Pretto L; Gilli G; Gilli P
Acta Crystallogr B; 2006 Oct; 62(Pt 5):850-63. PubMed ID: 16983166
[TBL] [Abstract][Full Text] [Related]
[Previous] [Next] [New Search]