191 related articles for article (PubMed ID: 21486092)
1. Improper hydrogen bonded cyclohexane C-Hax···Yax contacts: theoretical predictions and experimental evidence from 1H NMR spectroscopy of suitable axial cyclohexane models.
Kolocouris A; Zervos N; De Proft F; Koch A
J Org Chem; 2011 Jun; 76(11):4432-43. PubMed ID: 21486092
[TBL] [Abstract][Full Text] [Related]
2. C-H(ax)...Y(ax) contacts in cyclohexane derivatives revisited-identification of improper hydrogen-bonded contacts.
Kolocouris A
J Org Chem; 2009 Mar; 74(5):1842-9. PubMed ID: 19209884
[TBL] [Abstract][Full Text] [Related]
3. Assessing the attractive/repulsive force balance in axial cyclohexane C-H
Silva Lopez C; Nieto Faza O; De Proft F; Kolocouris A
J Comput Chem; 2016 Nov; 37(30):2647-2658. PubMed ID: 27684721
[TBL] [Abstract][Full Text] [Related]
4. Manifestation of stereoelectronic effects on the calculated carbon-hydrogen bond lengths and one-bond 1J(C-H) NMR coupling constants. Relative acceptor ability of the carbonyl (C=O), thiocarbonyl (C=S), and methylidene (C=CH2) groups toward C-H donor bonds.
Martínez-Mayorga K; Juaristi E; Cuevas G
J Org Chem; 2004 Oct; 69(21):7266-76. PubMed ID: 15471480
[TBL] [Abstract][Full Text] [Related]
5. The anomeric effect revisited. A possible role of the CH/n hydrogen bond.
Takahashi O; Yamasaki K; Kohno Y; Ohtaki R; Ueda K; Suezawa H; Umezawa Y; Nishio M
Carbohydr Res; 2007 Jul; 342(9):1202-9. PubMed ID: 17386924
[TBL] [Abstract][Full Text] [Related]
6. Structural, NMR, and EPR studies of S = (1)/(2) and S = (3)/(2) Fe(III) bis(4-cyanopyridine) complexes of dodecasubstituted porphyrins.
Yatsunyk LA; Walker FA
Inorg Chem; 2004 Jan; 43(2):757-77. PubMed ID: 14731040
[TBL] [Abstract][Full Text] [Related]
7. MP2, density functional theory, and molecular mechanical calculations of C-H...pi and hydrogen bond interactions in a cellulose-binding module-cellulose model system.
Mohamed MN; Watts HD; Guo J; Catchmark JM; Kubicki JD
Carbohydr Res; 2010 Aug; 345(12):1741-51. PubMed ID: 20580346
[TBL] [Abstract][Full Text] [Related]
8. Mechanistic insight into protonolysis and cis-trans isomerization of benzylplatinum(II) complexes assisted by weak ligand-to-metal interactions. A combined kinetic and DFT study.
Guido E; D'Amico G; Russo N; Sicilia E; Rizzato S; Albinati A; Romeo A; Plutino MR; Romeo R
Inorg Chem; 2011 Mar; 50(6):2224-39. PubMed ID: 21341750
[TBL] [Abstract][Full Text] [Related]
9. Van der Waals versus hydrogen-bonding forces in a crystalline analog of cellotetraose: cyclohexyl 4'-O-cyclohexyl beta-D-cellobioside cyclohexane solvate.
Yoneda Y; Mereiter K; Jaeger C; Brecker L; Kosma P; Rosenau T; French A
J Am Chem Soc; 2008 Dec; 130(49):16678-90. PubMed ID: 19554694
[TBL] [Abstract][Full Text] [Related]
10. A new scheme for determining the intramolecular seven-membered ring N-H...O=C hydrogen-bonding energies of glycine and alanine peptides.
Wang CS; Zhang Y; Gao K; Yang ZZ
J Chem Phys; 2005 Jul; 123(2):24307. PubMed ID: 16050745
[TBL] [Abstract][Full Text] [Related]
11. Red-shifted hydrogen bonds and blue-shifted van der Waals contact in the standard Watson-Crick adenine-thymine base pair.
Zhou PP; Qiu WY
J Phys Chem A; 2009 Sep; 113(38):10306-20. PubMed ID: 19715282
[TBL] [Abstract][Full Text] [Related]
12. Study of conformations and hydrogen bonds in the configurational isomers of pyrrole-2-carbaldehyde oxime by 1H, 13C and 15N NMR spectroscopy combined with MP2 and DFT calculations and NBO analysis.
Afonin AV; Ushakov IA; Pavlov DV; Ivanov AV; Mikhaleva AI
Magn Reson Chem; 2010 Sep; 48(9):685-92. PubMed ID: 20623827
[TBL] [Abstract][Full Text] [Related]
13. Charge-assisted intramolecular hydrogen bonds in disubstituted cyclohexane derivatives.
Lopes Jesus AJ; Redinha JS
J Phys Chem A; 2011 Dec; 115(48):14069-77. PubMed ID: 22026642
[TBL] [Abstract][Full Text] [Related]
14. Treatment of dilute clusters of methanol and water by ab initio quantum mechanical calculations.
Ruckenstein E; Shulgin IL; Tilson JL
J Phys Chem A; 2005 Feb; 109(5):807-15. PubMed ID: 16838951
[TBL] [Abstract][Full Text] [Related]
15. Structure and conformational analysis of a bidentate pro-ligand, C21H34N2S2, from powder synchrotron diffraction data and solid-state DFTB calculations.
Avila EE; Mora AJ; Delgado GE; Contreras RR; Rincón L; Fitch AN; Brunelli M
Acta Crystallogr B; 2009 Oct; 65(Pt 5):639-46. PubMed ID: 19767686
[TBL] [Abstract][Full Text] [Related]
16. High-level ab initio predictions for the ionization energies and heats of formation of five-membered-ring molecules: thiophene, furan, pyrrole, 1,3-cyclopentadiene, and borole, C4H4X/C4H4X+ (X = S, O, NH, CH2, and BH).
Lo PK; Lau KC
J Phys Chem A; 2011 Feb; 115(5):932-9. PubMed ID: 21210670
[TBL] [Abstract][Full Text] [Related]
17. True stabilization energies for the optimal planar hydrogen-bonded and stacked structures of guanine...cytosine, adenine...thymine, and their 9- and 1-methyl derivatives: complete basis set calculations at the MP2 and CCSD(T) levels and comparison with experiment.
Jurecka P; Hobza P
J Am Chem Soc; 2003 Dec; 125(50):15608-13. PubMed ID: 14664608
[TBL] [Abstract][Full Text] [Related]
18. Three-dimensional hydrogen-bonded structures in the guanidinium salts of the monocyclic dicarboxylic acids rac-trans-cyclohexane-1,2-dicarboxylic acid (2:1, anhydrous), isophthalic acid (1:1, monohydrate) and terephthalic acid (2:1, trihydrate).
Smith G; Wermuth UD
Acta Crystallogr C; 2010 Dec; 66(Pt 12):o575-80. PubMed ID: 21123887
[TBL] [Abstract][Full Text] [Related]
19. Influence of N-H...O and C-H...O hydrogen bonds on the 17O NMR tensors in crystalline uracil: computational study.
Ida R; De Clerk M; Wu G
J Phys Chem A; 2006 Jan; 110(3):1065-71. PubMed ID: 16420009
[TBL] [Abstract][Full Text] [Related]
20. Simultaneous interactions of anions and cations with cyclohexane and adamantane: aliphatic cyclic hydrocarbons as charge insulators.
Trujillo C; Sánchez-Sanz G; Alkorta I; Elguero J
J Phys Chem A; 2011 Nov; 115(45):13124-32. PubMed ID: 21755929
[TBL] [Abstract][Full Text] [Related]
[Next] [New Search]
