117 related articles for article (PubMed ID: 22915286)
1. Molecular propellers that consist of dehydrobenzo[14]annulene blades.
Nobusue S; Mukai Y; Fukumoto Y; Umeda R; Tahara K; Sonoda M; Tobe Y
Chemistry; 2012 Oct; 18(40):12814-24. PubMed ID: 22915286
[TBL] [Abstract][Full Text] [Related]
2. 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]
3. Conformational properties of 1-silyl-1-silacyclohexane, C(5)H(10)SiHSiH(3): gas electron diffraction, low-temperature NMR, temperature-dependent Raman spectroscopy, and quantum chemical calculations (&).
Wallevik SO; Bjornsson R; Kvaran A; Jonsdottir S; Arnason I; Belyakov AV; Baskakov AA; Hassler K; Oberhammer H
J Phys Chem A; 2010 Feb; 114(5):2127-35. PubMed ID: 20073516
[TBL] [Abstract][Full Text] [Related]
4. Chair, boat and twist conformation of dodecamethylcyclohexasilane and undecamethylcyclohexasilane: a combined DFT and Raman spectroscopic study.
Tekautz G; Binter A; Hassler K; Flock M
Chemphyschem; 2006 Feb; 7(2):421-9. PubMed ID: 16411262
[TBL] [Abstract][Full Text] [Related]
5. A combined experimental and theoretical study on the conformation of multiarmed chiral aryl ethers.
Mori T; Grimme S; Inoue Y
J Org Chem; 2007 Aug; 72(18):6998-7010. PubMed ID: 17665959
[TBL] [Abstract][Full Text] [Related]
6. A computational study of conformational interconversions in 1,4-dithiacyclohexane (1,4-dithiane).
Freeman F; Derek E
J Comput Chem; 2003 Jun; 24(8):909-19. PubMed ID: 12720311
[TBL] [Abstract][Full Text] [Related]
7. Vicinal diphosphoniums: electrostatic repulsion under covalent constraint.
Abdalilah M; Zurawinski R; Canac Y; Laleu B; Lacour J; Lepetit C; Magro G; Bernardinelli G; Donnadieu B; Duhayon C; Mikolajczyk M; Chauvin R
Dalton Trans; 2009 Oct; (40):8493-508. PubMed ID: 19809724
[TBL] [Abstract][Full Text] [Related]
8. Assessment of density functionals for pi systems: Energy differences between cumulenes and poly-ynes; proton affinities, bond length alternation, and torsional potentials of conjugated polyenes; and proton affinities of conjugated Shiff bases.
Zhao Y; Truhlar DG
J Phys Chem A; 2006 Sep; 110(35):10478-86. PubMed ID: 16942053
[TBL] [Abstract][Full Text] [Related]
9. Crystal structures and spectroscopic characterization of radical cations and dications of oligothiophenes stabilized by annelation with bicyclo[2.2.2]octene units: sterically segregated cationic oligothiophenes.
Nishinaga T; Wakamiya A; Yamazaki D; Komatsu K
J Am Chem Soc; 2004 Mar; 126(10):3163-74. PubMed ID: 15012146
[TBL] [Abstract][Full Text] [Related]
10. Monosilicon-substituted cyanoacetylene: a computational study.
Yang LM; Ding YH; Wang Q; Sun CC
J Comput Chem; 2006 Apr; 27(5):578-95. PubMed ID: 16470670
[TBL] [Abstract][Full Text] [Related]
11. Stereomutations of two-bladed propeller derivatives: ortho-substituted diaryl ethylene and diaryl ketone.
Lunazzi L; Mazzanti A; Minzoni M
J Org Chem; 2005 Jan; 70(2):456-62. PubMed ID: 15651786
[TBL] [Abstract][Full Text] [Related]
12. The intramolecular interaction of thiophene and furan with aromatic and fluoroaromatic systems in some [3.3]meta(heterocyclo)paracyclophanes: a combined computational and NMR spectroscopic study.
Benaglia M; Cozzi F; Mancinelli M; Mazzanti A
Chemistry; 2010 Jul; 16(25):7456-68. PubMed ID: 20564298
[TBL] [Abstract][Full Text] [Related]
13. Assessment of new meta and hybrid meta density functionals for predicting the geometry and binding energy of a challenging system: the dimer of H2S and benzene.
Leverentz HR; Truhlar DG
J Phys Chem A; 2008 Jul; 112(26):6009-16. PubMed ID: 18540587
[TBL] [Abstract][Full Text] [Related]
14. Computational evaluation of the evidence for tri-trans-[12]annulene.
Castro C; Karney WL; Vu CM; Burkhardt SE; Valencia MA
J Org Chem; 2005 Apr; 70(9):3602-9. PubMed ID: 15844997
[TBL] [Abstract][Full Text] [Related]
15. [10]Annulene: bond shifting and conformational mechanisms for automerization.
Castro C; Karney WL; McShane CM; Pemberton RP
J Org Chem; 2006 Apr; 71(8):3001-6. PubMed ID: 16599594
[TBL] [Abstract][Full Text] [Related]
16. Unusual noncovalent interaction between the chelated Cu(II) ion and the pi bond in the vitamin B(13) complex, cis-diammine(orotato)copper(II): theoretical and vibrational spectroscopy studies.
Helios K; Wysokiński R; Zierkiewicz W; Proniewicz LM; Michalska D
J Phys Chem B; 2009 Jun; 113(23):8158-69. PubMed ID: 19453135
[TBL] [Abstract][Full Text] [Related]
17. Raman spectrum, conformational stability, barriers to internal rotations and DFT calculations of 1,1,1-trifluoro-propane-2-thione with double-internal-symmetric rotor.
Mohamed TA; Farag RS
Spectrochim Acta A Mol Biomol Spectrosc; 2005 Dec; 62(4-5):800-7. PubMed ID: 16303627
[TBL] [Abstract][Full Text] [Related]
18. Calculated chemical shifts as a fine tool of conformational analysis: an unambiguous solution for haouamine alkaloids.
Belostotskii AM
J Org Chem; 2008 Aug; 73(15):5723-31. PubMed ID: 18597531
[TBL] [Abstract][Full Text] [Related]
19. Several transition states from (4)C(1) to skew conformations of beta-D-glucopyranose.
Kurihara Y; Ueda K
Carbohydr Res; 2009 Nov; 344(16):2266-9. PubMed ID: 19766991
[TBL] [Abstract][Full Text] [Related]
20. Dehydro[12]annulenes: structures, energetics, and dynamic processes.
Januar LA; Huynh V; Wood TS; Castro C; Karney WL
J Org Chem; 2011 Jan; 76(2):403-7. PubMed ID: 21192655
[TBL] [Abstract][Full Text] [Related]
[Next] [New Search]
