SpecDis: quantifying the comparison of calculated and experimental electronic circular dichroism spectra. - Wikidata - wikimedia - TriplyDB

SpecDis: quantifying the comparison of calculated and experimental electronic circular dichroism spectra.

SpecDis: quantifying the comparison of calculated and experimental electronic circular dichroism spectra.

http://www.wikidata.org/entity/Q48968379

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Determination of the Absolute Configurations of Chiral Drugs Using Chiroptical Spectroscopy Cytotoxic dimeric epipolythiodiketopiperazines from the ascomycetous fungus Preussia typharum Sinulolides A-H, new cyclopentenone and butenolide derivatives from soft coral Sinularia sp.Six New Polyketide Decalin Compounds from Mangrove Endophytic Fungus Penicillium aurantiogriseum 328.Eutypenoids A-C: Novel Pimarane Diterpenoids from the Arctic Fungus Eutypella sp. D-1.Phomopsichin A-D; Four New Chromone Derivatives from Mangrove Endophytic Fungus Phomopsis sp. 33.Mechanistic and chiroptical studies on the desulfurization of epidithiodioxopiperazines reveal universal retention of configuration at the bridgehead carbon atoms.Brevianamides and Mycophenolic Acid Derivatives from the Deep-Sea-Derived Fungus Penicillium brevicompactum DFFSCS025.A set of interesting sequoiatones stereoisomers from a wetland soil-derived fungus Talaromyces flavus.New Metabolites and Bioactive Chlorinated Benzophenone Derivatives Produced by a Marine-Derived Fungus Pestalotiopsis heterocornis Natural product driven diversity via skeletal remodeling of caryophyllene β-lactam.Chemistry and Selective Tumor Cell Growth Inhibitory Activity of Polyketides from the South China Sea Sponge Plakortis sp.Good Computational Practice in the Assignment of Absolute Configurations by TDDFT Calculations of ECD Spectra.Structural Analysis Using Chiroptical Spectroscopy: Insights and Cautions.Application of the Ugi reaction with multiple amino acid-derived components: synthesis and conformational evaluation of piperazine-based minimalist peptidomimetics.Asperaculanes A and B, two sesquiterpenoids from the fungus Aspergillus aculeatus.Isolation, stereochemical study, and cytotoxic activity of isobenzofuran derivatives from a marine Streptomyces sp.Characterization of the synthetic cannabinoid MDMB-CHMCZCA.EBC-219: a new diterpene skeleton, crotinsulidane, from the Australian rainforest containing a bridgehead double bond.Highly antiplasmodial non-natural oxidative products of dioncophylline A: synthesis, absolute configuration, and conformational stability.Two New Clerodane Diterpenes from Tinospora sagittata.Antiplasmodial Ealapasamines A-C,'Mixed' Naphthylisoquinoline Dimers from the Central African Liana Ancistrocladus ealaensis.Three new trixane glycosides obtained from the leaves of Jungia sellowii Less. using centrifugal partition chromatography.Discovery of pentangular polyphenols hexaricins A-C from marine Streptosporangium sp. CGMCC 4.7309 by genome mining.Stilbene epoxidation and detoxification in a Photorhabdus luminescens-nematode symbiosis.Cycloheximide congeners produced by Streptomyces sp. SC0581 and photoinduced interconversion between (E)- and (Z)-2,3-dehydroanhydrocycloheximides.Cytotoxic Acylphloroglucinol Derivatives from Callistemon salignus.Decandrinin, an unprecedented C9-spiro-fused 7,8-seco-ent-abietane from the Godavari mangrove Ceriops decandra.Chromatographic separation and assignment of absolute configuration of hydroxywarfarin isomers.Strong intermolecular exciton couplings in solid-state circular dichroism of aryl benzyl sulfoxides.Stereochemical analysis of β-keto sulfoxides by circular dichroism.Antifungal and Cytotoxic β-Resorcylic Acid Lactones from a Paecilomyces Species.Enantioresolution and stereochemical characterization of two chiral sulfoxides endowed with COX-2 inhibitory activity.Anti-Inflammatory and Anti-Oxidant Potential of the Root Extract and Constituents of Doronicum austriacum.Computational ECD spectrum simulation of the phytotoxin scytalone: importance of solvent effects on conformer populations.Structurally Diverse Alkaloids from the Seeds of Peganum harmala.The First Casbane Hydroperoxides EBC-304 and EBC-320 from the Australian Rainforest.Three Pairs of New Isopentenyl Dibenzo[b,e]oxepinone Enantiomers from Talaromyces flavus, a Wetland Soil-Derived Fungus.Structure and Absolute Configuration of Kongiidiazadione, a New Phytotoxic 3-Substituted-5-Diazenylcyclopentendione Produced by Diaporthe Kongii.The origin of the absorption spectra of porphyrin N- and dithiaporphyrin S-oxides in their neutral and protonated states.

P2860

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P2860

SpecDis: quantifying the comparison of calculated and experimental electronic circular dichroism spectra.

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description

2013 nî lūn-bûn

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2013年の論文

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2013年学术文章

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2013年学术文章

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2013年学术文章

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2013年学术文章

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2013年学术文章

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2013年学术文章

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2013年學術文章

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2013年學術文章

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name

SpecDis: quantifying the compa ...... ic circular dichroism spectra.

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SpecDis: quantifying the compa ...... ic circular dichroism spectra.

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type

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SpecDis: quantifying the compa ...... ic circular dichroism spectra.

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SpecDis: quantifying the compa ...... ic circular dichroism spectra.

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SpecDis: quantifying the compa ...... ic circular dichroism spectra.

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SpecDis: quantifying the compa ...... ic circular dichroism spectra.

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Anu Schaumlöffel

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Gerhard Bringmann

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Yasmin Hemberger

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P2860

Determination of relative configuration in organic compounds by NMR spectroscopy and computational methods.

Absolute structural elucidation of natural products--a focus on quantum-mechanical calculations of solid-state CD spectra.

Computing chiroptical properties with first-principles theoretical methods: background and illustrative examples.

Conformational aspects in the studies of organic compounds by electronic circular dichroism.

Molecular structure determination using chiroptical spectroscopy: where we may go wrong?

Extensive TD-DFT Benchmark: Singlet-Excited States of Organic Molecules.

On the chiroptical behavior of conjugated multichromophoric compounds of a new pseudoaromatic class: bicolchicides and biisocolchicides

Cleavage of four carbon-carbon bonds during biosynthesis of the griseorhodin a spiroketal pharmacophore.

Theoretical thermodynamics for large molecules: walking the thin line between accuracy and computational cost.

Vibrational circular dichroism versus optical rotation dispersion and electronic circular dichroism for diastereomers: the stereochemistry of 3-(1'-hydroxyethyl)-1-(3'-phenylpropanoyl)-azetidin-2-one.

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243-249

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scholarly article

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10.1002/CHIR.22138

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4

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25

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2013-04-01T00:00:00Z

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23532998

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