742 related articles for article (PubMed ID: 15202885)
1. Electronic state of push-pull alkenes: an experimental dynamic NMR and theoretical ab initio MO study.
Kleinpeter E; Klod S; Rudorf WD
J Org Chem; 2004 Jun; 69(13):4317-29. PubMed ID: 15202885
[TBL] [Abstract][Full Text] [Related]
2. The interplay of thio(seleno)amide/vinylogous thio(seleno)amide "resonance" and the anisotropic effect of thiocarbonyl and selenocarbonyl functional groups.
Kleinpeter E; Schulenburg A; Zug I; Hartmann H
J Org Chem; 2005 Aug; 70(17):6592-602. PubMed ID: 16095275
[TBL] [Abstract][Full Text] [Related]
3. Quantifying weak hydrogen bonding in uracil and 4-cyano-4'-ethynylbiphenyl: a combined computational and experimental investigation of NMR chemical shifts in the solid state.
Uldry AC; Griffin JM; Yates JR; Pérez-Torralba M; María MD; Webber AL; Beaumont ML; Samoson A; Claramunt RM; Pickard CJ; Brown SP
J Am Chem Soc; 2008 Jan; 130(3):945-54. PubMed ID: 18166050
[TBL] [Abstract][Full Text] [Related]
4. Quantification of the push-pull character of donor-acceptor triazenes.
Kleinpeter E; Stamboliyska BA
J Org Chem; 2008 Nov; 73(21):8250-5. PubMed ID: 18847241
[TBL] [Abstract][Full Text] [Related]
5. pi-Delocalization in oligoalkynes induced by push-pull substituents and 1,3-conjugation: a combined (13)C NMR and computational study.
Kleinpeter E; Koch A
J Phys Chem A; 2009 Oct; 113(40):10852-7. PubMed ID: 19746894
[TBL] [Abstract][Full Text] [Related]
6. Correlated MO study of the low-barrier intramolecular motions in donor-acceptor ethenes.
Bakalova SM; Frutos LM; Kaneti J; Castaño O
J Phys Chem A; 2005 Nov; 109(45):10388-95. PubMed ID: 16833335
[TBL] [Abstract][Full Text] [Related]
7. Quantification of the push-pull effect in substituted alkynes. Evaluation of +/-I/+/-M substituent effects in terms of C[triple bond]C bond length variation.
Kleinpeter E; Frank A
J Phys Chem A; 2009 Jun; 113(24):6774-8. PubMed ID: 19459668
[TBL] [Abstract][Full Text] [Related]
8. Amino and cyano N atoms in competitive situations: which is the best hydrogen-bond acceptor? A crystallographic database investigation.
Ziao N; Graton J; Laurence C; Le Questel JY
Acta Crystallogr B; 2001 Dec; 57(Pt 6):850-8. PubMed ID: 11717485
[TBL] [Abstract][Full Text] [Related]
9. First- and second-order polarizabilities of simple merocyanines. An experimental and theoretical reassessment of the two-level model.
Momicchioli F; Ponterini G; Vanossi D
J Phys Chem A; 2008 Nov; 112(46):11861-72. PubMed ID: 18942806
[TBL] [Abstract][Full Text] [Related]
10. Interaction geometries and energies of hydrogen bonds to C[double bond]O and C[double bond]S acceptors: a comparative study.
Wood PA; Pidcock E; Allen FH
Acta Crystallogr B; 2008 Aug; 64(Pt 4):491-6. PubMed ID: 18641451
[TBL] [Abstract][Full Text] [Related]
11. Push-pull vs captodative aromaticity.
Shainyan BA; Fettke A; Kleinpeter E
J Phys Chem A; 2008 Oct; 112(43):10895-903. PubMed ID: 18834089
[TBL] [Abstract][Full Text] [Related]
12. Direct estimate of the strength of conjugation and hyperconjugation by the energy decomposition analysis method.
Fernández I; Frenking G
Chemistry; 2006 Apr; 12(13):3617-29. PubMed ID: 16502455
[TBL] [Abstract][Full Text] [Related]
13. An ab initio and density functional theory study of the structure and bonding of sulfur ylides.
Standard JM; Copack BA; Johnson TK; Przybyla DE; Graham SR; Steidl RJ
J Phys Chem A; 2008 Jan; 112(2):336-41. PubMed ID: 18085760
[TBL] [Abstract][Full Text] [Related]
14. 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]
15. The nature of the chemical bond revisited: an energy-partitioning analysis of nonpolar bonds.
Kovács A; Esterhuysen C; Frenking G
Chemistry; 2005 Mar; 11(6):1813-25. PubMed ID: 15672434
[TBL] [Abstract][Full Text] [Related]
16. 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]
17. The impact of the pi-electron conjugation on (15)N, (13)C and (1)H NMR chemical shifts in push-pull benzothiazolium salts. Experimental and theoretical study.
Hrobárik P; Horváth B; Sigmundová I; Zahradník P; Malkina OL
Magn Reson Chem; 2007 Nov; 45(11):942-53. PubMed ID: 17924356
[TBL] [Abstract][Full Text] [Related]
18. Direct ab initio dynamics study on the rate constants and kinetics isotope effects of CH(3)O+H-->CH(2)O+H(2) reaction.
Li QS; Zhang Y; Zhang S
J Chem Phys; 2004 Nov; 121(19):9474-80. PubMed ID: 15538868
[TBL] [Abstract][Full Text] [Related]
19. Synthesis of [F3S(triple bond)NXeF][AsF6] and structural study by multi-NMR and Raman spectroscopy, electronic structure calculations, and X-ray crystallography.
Smith GL; Mercier HP; Schrobilgen GJ
Inorg Chem; 2007 Feb; 46(4):1369-78. PubMed ID: 17256847
[TBL] [Abstract][Full Text] [Related]
20. Theoretical study of the electronic structure of CnS (n=1-6) thiocumulenes.
Pérez-Juste I; Graña AM; Carballeira L; Mosquera RA
J Chem Phys; 2004 Dec; 121(21):10447-55. PubMed ID: 15549925
[TBL] [Abstract][Full Text] [Related]
[Next] [New Search]
