These tools will no longer be maintained as of December 31, 2024. Archived website can be found here. PubMed4Hh GitHub repository can be found here. Contact NLM Customer Service if you have questions.
299 related articles for article (PubMed ID: 18224634)
1. Ab initio study of the magneto-optical rotation of diastereoisomers. Kula M; Cappelli C; Coriani S; Rizzo A Chemphyschem; 2008 Feb; 9(3):462-9. PubMed ID: 18224634 [TBL] [Abstract][Full Text] [Related]
2. Spectroscopic investigation of the structures of dialkyl tartrates and their cyclodextrin complexes. Zhang P; Polavarapu PL J Phys Chem A; 2007 Feb; 111(5):858-71. PubMed ID: 17266226 [TBL] [Abstract][Full Text] [Related]
3. Ab initio calculations of nonlinear optical rotation by several small chiral molecules and by uridine stereoisomers. Qu W; Tabisz GC J Chem Phys; 2006 May; 124(18):184305. PubMed ID: 16709104 [TBL] [Abstract][Full Text] [Related]
4. Ab initio determination of optical rotatory dispersion in the conformationally flexible molecule (R)-epichlorohydrin. Tam MC; Crawford TD J Phys Chem A; 2006 Feb; 110(6):2290-8. PubMed ID: 16466267 [TBL] [Abstract][Full Text] [Related]
5. Coupled cluster and density functional theory studies of the vibrational contribution to the optical rotation of (S)-propylene oxide. Kongsted J; Pedersen TB; Jensen L; Hansen AE; Mikkelsen KV J Am Chem Soc; 2006 Jan; 128(3):976-82. PubMed ID: 16417389 [TBL] [Abstract][Full Text] [Related]
6. Comparison of time-dependent density-functional theory and coupled cluster theory for the calculation of the optical rotations of chiral molecules. Crawford TD; Stephens PJ J Phys Chem A; 2008 Feb; 112(6):1339-45. PubMed ID: 18198852 [TBL] [Abstract][Full Text] [Related]
7. Ab initio study of the magnetic exchange coupling constants of a structural model [CaMn(3)(III)Mn(II)] of the oxygen evolving center in photosystem II. Fliegl H; Fink K; Klopper W; Anson CE; Powell AK; Clérac R Phys Chem Chem Phys; 2009 May; 11(20):3900-9. PubMed ID: 19440618 [TBL] [Abstract][Full Text] [Related]
8. Optical properties of N-succinimidyl bithiophene and the effects of the binding to biomolecules: comparison between coupled-cluster and time-dependent density functional theory calculations and experiments. Fabiano E; Della Sala F; Barbarella G; Lattante S; Anni M; Sotgiu G; Hättig C; Cingolani R; Gigli G J Phys Chem B; 2006 Sep; 110(37):18651-60. PubMed ID: 16970495 [TBL] [Abstract][Full Text] [Related]
9. The current state of ab initio calculations of optical rotation and electronic circular dichroism spectra. Crawford TD; Tam MC; Abrams ML J Phys Chem A; 2007 Dec; 111(48):12057-68. PubMed ID: 17985851 [TBL] [Abstract][Full Text] [Related]
10. Ab initio/DFT/GIAO-CCSD(T) calculational study of the t-butyl cation: comparison of experimental data with structures, energetics, IR vibrational frequencies, and 13C NMR chemical shifts indicating preferred C(s) conformation. Rasul G; Chen JL; Prakash GK; Olah GA J Phys Chem A; 2009 Jun; 113(24):6795-9. PubMed ID: 19476321 [TBL] [Abstract][Full Text] [Related]
11. Kinetic modeling of methyl butanoate in shock tube. Huynh LK; Lin KC; Violi A J Phys Chem A; 2008 Dec; 112(51):13470-80. PubMed ID: 19035670 [TBL] [Abstract][Full Text] [Related]
12. A dipole interaction model for magnetochiral birefringence. Ruchon T; Vallet M; Chauvat D; Le Floch A J Chem Phys; 2006 Aug; 125(8):084104. PubMed ID: 16964998 [TBL] [Abstract][Full Text] [Related]
13. Mechanisms for chemical transformations of (R,R)-tartaric acid on Cu(110): A first principles study. Zhang J; Lu T; Jiang C; Zou J; Cao F; Chen Y J Chem Phys; 2009 Oct; 131(14):144703. PubMed ID: 19831460 [TBL] [Abstract][Full Text] [Related]
14. Determination of the absolute configurations of natural products using TDDFT optical rotation calculations: the iridoid oruwacin. Stephens PJ; Pan JJ; Devlin FJ; Cheeseman JR J Nat Prod; 2008 Feb; 71(2):285-8. PubMed ID: 18211006 [TBL] [Abstract][Full Text] [Related]
15. MNDO parameters for the prediction of 19F NMR chemical shifts in biologically relevant compounds. Williams DE; Peters MB; Wang B; Merz KM J Phys Chem A; 2008 Sep; 112(37):8829-38. PubMed ID: 18722416 [TBL] [Abstract][Full Text] [Related]
16. Accurate theoretical chemistry with coupled pair models. Neese F; Hansen A; Wennmohs F; Grimme S Acc Chem Res; 2009 May; 42(5):641-8. PubMed ID: 19296607 [TBL] [Abstract][Full Text] [Related]
17. Coupled cluster calculations of optical rotatory dispersion of (S)-methyloxirane. Tam MC; Russ NJ; Crawford TD J Chem Phys; 2004 Aug; 121(8):3550-7. PubMed ID: 15303920 [TBL] [Abstract][Full Text] [Related]
18. Assignment of the absolute configuration of [n]-ladderanes by TD-DFT optical rotation calculations. Zuber G; Goldsmith MR; Beratan DN; Wipf P Chirality; 2005 Oct; 17(8):507-10. PubMed ID: 16121333 [TBL] [Abstract][Full Text] [Related]
19. Possible oxidative polymerization mechanism of 5,6-dihydroxyindole from ab initio calculations. Okuda H; Wakamatsu K; Ito S; Sota T J Phys Chem A; 2008 Nov; 112(44):11213-22. PubMed ID: 18850693 [TBL] [Abstract][Full Text] [Related]
20. Ab initio calculation of optical rotation in (P)-(+)-[4]triangulane. Crawford TD; Owens LS; Tam MC; Schreiner PR; Koch H J Am Chem Soc; 2005 Feb; 127(5):1368-9. PubMed ID: 15686357 [TBL] [Abstract][Full Text] [Related] [Next] [New Search]