| P50 | author | Maria Valeria D'Auria | Q91740178 |
| | Angela Zampella | Q38544970 |
| | Craig P Butts | Q42292829 |
| | Raffaele Riccio | Q42756588 |
| | Simona De Marino | Q44416340 |
| | Giuseppe Bifulco | Q51446425 |
| | Carmen Festa | Q57000869 |
| P2093 | author name string | Simone Di Micco | |
| P2860 | cites work | Assigning stereochemistry to single diastereoisomers by GIAO NMR calculation: the DP4 probability | Q84959297 |
| | Experimental and theoretical investigation of 1J(CC) and (n)J(CC) coupling constants in strychnine | Q85002862 |
| | Connecting discrete stereoclusters by using DFT and NMR spectroscopy: the case of nivariol | Q86726770 |
| | Accuracy in determining interproton distances using Nuclear Overhauser Effect data from a flexible molecule | Q33857459 |
| | Plakilactones from the marine sponge Plakinastrella mamillaris. Discovery of a new class of marine ligands of peroxisome proliferator-activated receptor γ. | Q34397954 |
| | Predicting NMR spectra by computational methods: structure revision of hexacyclinol | Q34538078 |
| | Computational NMR spectroscopy of organoarsenicals and the natural polyarsenic compound arsenicin A. | Q34850232 |
| | Addressing the stereochemistry of complex organic molecules by density functional theory-NMR: vannusal B in retrospective | Q35001520 |
| | Determination of relative configuration in organic compounds by NMR spectroscopy and computational methods. | Q36890547 |
| | Oxygenated polyketides from Plakinastrella mamillaris as a new chemotype of PXR agonists. | Q39131450 |
| | Calculating accurate proton chemical shifts of organic molecules with density functional methods and modest basis sets. | Q42162868 |
| | A multi-standard approach for GIAO (13)C NMR calculations. | Q43282057 |
| | Interproton distance determinations by NOE--surprising accuracy and precision in a rigid organic molecule | Q43590985 |
| | 3-Bromopropenyl esters in organic synthesis: indium- and zinc-mediated entries to alk-1-ene-3,4-diols | Q44296807 |
| | Quantitative NMR-derived interproton distances combined with quantum mechanical calculations of 13C chemical shifts in the stereochemical determination of conicasterol F, a nuclear receptor ligand from Theonella swinhoei | Q46152949 |
| | Determination of the relative stereochemistry of flexible organic compounds by Ab initio methods: conformational analysis and Boltzmann-averaged GIAO 13C NMR chemical shifts | Q50108858 |
| | Hybrid Density Functional Methods Empirically Optimized for the Computation of (13)C and (1)H Chemical Shifts in Chloroform Solution. | Q51630023 |
| | Bruceantin, a new potent antileukemic simaroubolide from Brucea antidysenterica | Q53983534 |
| | Determining the Absolute Stereochemistry of Secondary/Secondary Diols by1H NMR: Basis and Applications | Q57517740 |
| | Ab Initio Methods for the Calculation of NMR Shielding and Indirect Spin−Spin Coupling Constants | Q60495101 |
| | Structure validation of natural products by quantum-mechanical GIAO calculations of 13C NMR chemical shifts | Q74688967 |
| | Comparison of different theory models and basis sets in the calculation of 13C NMR chemical shifts of natural products | Q80560312 |
| | Accurate NOE-distance determination enables the stereochemical assignment of a flexible molecule--arugosin C | Q84098863 |
| | GIAO DFT 13C/15N chemical shifts in regioisomeric structure determination of fused pyrazoles | Q84505389 |
| | Total synthesis and structure confirmation of elatenyne: success of computational methods for NMR prediction with highly flexible diastereomers | Q84514013 |
| P304 | page(s) | 2940-2949 | |
| P577 | publication date | 2013-12-30 | |
| P1433 | published in | Beilstein Journal of Organic Chemistry | Q2894008 |
| P1476 | title | Plakilactones G and H from a marine sponge. Stereochemical determination of highly flexible systems by quantitative NMR-derived interproton distances combined with quantum mechanical calculations of (13)C chemical shifts | |
| P478 | volume | 9 | |