Addressing the stereochemistry of complex organic molecules by density functional theory-NMR: vannusal B in retrospective
about
A guide to small-molecule structure assignment through computation of (¹H and ¹³C) NMR chemical shifts.Recent advances and applications of experimental technologies in marine natural product research.A non-Karplus effect: evidence from phosphorus heterocycles and DFT calculations of the dependence of vicinal phosphorus-hydrogen NMR coupling constants on lone-pair conformation.Constructing molecular complexity and diversity: total synthesis of natural products of biological and medicinal importance.Revision of the Structure of Acremine P from a Marine-Derived Strain of Acremonium persicinum.Thelepamide: an unprecedented ketide-amino acid from Thelepus crispus, a marine annelid worm.Walking in the woods with quantum chemistry--applications of quantum chemical calculations in natural products research.Total syntheses of natural products containing spirocarbocycles.Dimeric Sesquiterpenoids.Quantum-chemical, NMR, FT IR, and ESI MS studies of complexes of colchicine with Zn(II).Computational Chemistry to the Rescue: Modern Toolboxes for the Assignment of Complex Molecules by GIAO NMR Calculations.Characterization of novel isobenzofuranones by DFT calculations and 2D NMR analysis.Total synthesis of oxidized welwitindolinones and (-)-N-methylwelwitindolinone C isonitrile.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.Stereochemistry of complex marine natural products by quantum mechanical calculations of NMR chemical shifts: solvent and conformational effects on okadaic acidStereochemical determination of five-membered cyclic ether acetogenins using a spin-spin coupling constant approach and DFT calculationsRecent advances in the structure elucidation of small organic molecules by the LSD software.Comparative molecular field analysis and comparative molecular similarity index analysis studies on 1H NMR chemical shift of NH group of diaryl triazene derivatives.Successful combination of computationally inexpensive GIAO 13C NMR calculations and artificial neural network pattern recognition: a new strategy for simple and rapid detection of structural misassignments.The many roles of quantum chemical predictions in synthetic organic chemistry.Structural determination of complex natural products by quantum mechanical calculations of (13)C NMR chemical shifts: development of a parameterized protocol for terpenes.Structural revision of two unusual rhamnofolane diterpenes, curcusones I and J, by means of DFT calculations of NMR shifts and coupling constants.Density functional theory investigation on Pd-catalyzed cross-coupling of azoles with aryl thioethers.Comparison of GIAO and CSGT for calculating (13) C and (15) N nuclear magnetic resonance chemical shifts of substituent neutral 5-aminotetrazole and 5-nitrotetrazole compounds.Investigation of two- and three-bond carbon-hydrogen coupling constants in cinnamic acid based compounds.Mechanistic study on Rh-catalyzed stereoselective C-C/C-H activation of tert-cyclobutanols.The isomeric structure of pentacoordinate chiral spirophosphoranes in solution by the combined use of NMR experiments and GIAO DFT calculations of NMR parameters.DFT1H-1H coupling constants in the conformational analysis and stereoisomeric differentiation of 6-heptenyl-2H-pyran-2-ones: configurational reassignment of synargentolide AComputational organic chemistry15N NMR spectroscopic and theoretical GIAO-DFT studies for the unambiguous characterization of disubstituted 1,2,3-triazoles
P2860
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P2860
Addressing the stereochemistry of complex organic molecules by density functional theory-NMR: vannusal B in retrospective
description
2011 nî lūn-bûn
@nan
2011 թուականի Մարտին հրատարակուած գիտական յօդուած
@hyw
2011 թվականի մարտին հրատարակված գիտական հոդված
@hy
2011年の論文
@ja
2011年論文
@yue
2011年論文
@zh-hant
2011年論文
@zh-hk
2011年論文
@zh-mo
2011年論文
@zh-tw
2011年论文
@wuu
name
Addressing the stereochemistry ...... R: vannusal B in retrospective
@ast
Addressing the stereochemistry ...... R: vannusal B in retrospective
@en
type
label
Addressing the stereochemistry ...... R: vannusal B in retrospective
@ast
Addressing the stereochemistry ...... R: vannusal B in retrospective
@en
prefLabel
Addressing the stereochemistry ...... R: vannusal B in retrospective
@ast
Addressing the stereochemistry ...... R: vannusal B in retrospective
@en
P2093
P2860
P356
P1476
Addressing the stereochemistry ...... R: vannusal B in retrospective
@en
P2093
Adrian Ortiz
Alessandro Bagno
Hongjun Zhang
K C Nicolaou
P2860
P304
P356
10.1021/JA201108A
P407
P577
2011-03-25T00:00:00Z