About: Conformational flexibility and absolute stereochemistry of (3R)-3-hydroxy-4-aryl-β-lactams investigated by chiroptical properties and TD-DFT calculations

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About: Conformational flexibility and absolute stereochemistry of (3R)-3-hydroxy-4-aryl-β-lactams investigated by chiroptical properties and TD-DFT calculations Goto Sponge NotDistinct Permalink

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scientific article published on 29 April 2012

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rdf:type	Item
description	wetenschappelijk artikel (nl) наукова стаття, опублікована у вересні 2012 (uk) im September 2012 veröffentlichter wissenschaftlicher Artikel (de) artículu científicu espublizáu n'abril de 2012 (ast) scientific article published on 29 April 2012 (en)
publication date	wds:Q56980579-B57505A2-E1FD-4727-9F0A-FF0267A4DA90
publication date	2012-04-29 00:00:00Z (xsd:dateTime)
language of work or name	wds:Q56980579-C09FBDA9-423D-40F5-8A21-BD2AEFD8F813
language of work or name	English
cites work	wds:Q56980579-01720669-715E-4FBA-B0F8-D004840915FB wds:Q56980579-19CC146E-4383-49B7-82A2-8FA09EED8263 wds:Q56980579-2594C49B-C110-45FF-BBDE-46E7C27E72D6 wds:Q56980579-2E4D1274-E438-4D1F-858A-C1A71CFE8812 wds:Q56980579-386C3E63-5BF7-48EF-B3E9-51F05E01AEF5 wds:Q56980579-3AB60D55-AEB5-4C11-9D76-51A98EA065F2 wds:Q56980579-44D523F2-C6A9-4451-869D-7B1E205B5E7C wds:Q56980579-4AF5DA5B-7E29-4144-B906-4F73125A5DD2 wds:Q56980579-4E24374A-7A68-49F7-BE38-9E8ABFD18D93 wds:Q56980579-4FD494B3-FF4E-43F5-A543-9D9E1AA04003 wds:Q56980579-55CDCAFB-A93A-44DF-BB8C-D1F6A868C849 wds:Q56980579-5C6BC32D-2B30-4A1E-B9F4-D8E8BD0D720F wds:Q56980579-782DA809-177A-4777-9B59-01D3FB7761F8 wds:Q56980579-794C4C03-6EE5-4F70-BD6A-17F51780394C wds:Q56980579-7BAF8844-4C6B-4092-8D90-3197FFF48144 wds:Q56980579-7E81FADD-C73D-4A56-8C2F-FFBE196AD3EE wds:Q56980579-7FF0B914-0983-4680-A08C-C505A90F2EC1 wds:Q56980579-8A03EE39-F998-4120-8733-747A1BC4C6CC wds:Q56980579-A062A67F-351D-426C-931A-EC8F7ED02A55 wds:Q56980579-A6C923C6-1FBD-4EAC-A329-B40BE3BD7E65 wds:Q56980579-B37C6BEA-5FED-4BCA-AD85-B5A27319E6D1
cites work	Contracted Gaussian basis sets for molecular calculations. I. Second row atoms, Z=11–18 VMD: visual molecular dynamics Self‐Consistent Molecular‐Orbital Methods. IX. An Extended Gaussian‐Type Basis for Molecular‐Orbital Studies of Organic Molecules Generalized Gradient Approximation Made Simple Inhomogeneous Electron Gas Self-Consistent Equations Including Exchange and Correlation Effects Semiempirical GGA-type density functional constructed with a long-range dispersion correction. Quantum mechanical continuum solvation models. Conformational aspects in the studies of organic compounds by electronic circular dichroism Generalized Gradient Approximation Made Simple [Phys. Rev. Lett. 77, 3865 (1996)] 2-Azetidinones as inhibitors of cholesterol absorption. Computing chiroptical properties with first-principles theoretical methods: background and illustrative examples Design, synthesis, and proposed active site binding analysis of monocyclic 2-azetidinone inhibitors of prostate specific antigen New and efficient approaches to the semisynthesis of taxol and its C-13 side chain analogs by means of β-lactam synthon method Circular Dichroism and Conformational Dynamics of Cephams and Their Carba and Oxa Analogues 5-Dethia-5-oxacephams: toward correlation of absolute configuration and chiroptical properties (3R)-Chiral Control of 3-Alkyl-3-hydroxy-beta-lactams via Addition Reaction of Imines to Enolates of 1,3-Dioxolan-4-ones Asymmetric Synthesis of Substituted 2-Azaspiro[3.5]nonan-1-ones: An Enantioselective Synthesis of the Cholesterol Absorption Inhibitor (+)-SCH 54016 CD-sensitive Zn-porphyrin tweezer host-guest complexes, part 2: cis- and trans-3-hydroxy-4-aryl/alkyl-beta-lactams. A case study Synthesis of optically active constrained 2-substituted norstatines: a straightforward application of Seebach's "SRS" synthetic principle CD-sensitive Zn-porphyrin tweezer host-guest complexes, part 1: MC/OPLS-2005 computational approach for predicting preferred interporphyrin helicity
author name string	wds:Q56980579-3483D38D-CBD0-4296-82CB-9D0DE092C198 wds:Q56980579-6DF11EEF-260B-4208-85EA-34FC7F67571F
author name string	Carlo Bertucci Andrea Guerrini
rdfs:label	Conformational flexibility and absolute stereochemistry of (3R)-3-hydroxy-4-aryl-β-lactams investigated by chiroptical properties and TD-DFT calculations (en) Conformational flexibility and absolute stereochemistry of (nl)
skos:prefLabel	Conformational flexibility and absolute stereochemistry of (3R)-3-hydroxy-4-aryl-β-lactams investigated by chiroptical properties and TD-DFT calculations (en) Conformational flexibility and absolute stereochemistry of (nl)
name	Conformational flexibility and absolute stereochemistry of (3R)-3-hydroxy-4-aryl-β-lactams investigated by chiroptical properties and TD-DFT calculations (en) Conformational flexibility and absolute stereochemistry of (nl)
author	wds:Q56980579-5AE69028-7178-4516-9A99-BF06BD86A072 wds:Q56980579-FBEC4271-3E8F-487F-9211-A1FD501C60A3
author	Riccardo Zanasi Daniele Tedesco
title	wds:Q56980579-170174CE-6E1A-4BD1-B007-0E1F09515C82
title	Conformational flexibility and absolute stereochemistry of (3R)-3-hydroxy-4-aryl-β-lactams investigated by chiroptical properties and TD-DFT calculations (en)
page(s)	wds:Q56980579-58E1D2AD-672E-4833-912E-AC655FD20D2B
page(s)	741-750
instance of	wds:Q56980579-237F0474-DF6A-46E8-B4DC-90B3724DAE0D
instance of	scholarly article
PubMed ID	wds:Q56980579-D565BEB5-94B8-4554-8B9F-4E8678229F61
PubMed ID	http://rdf.ncbi.nlm.nih.gov/pubchem/reference/22544665
PubMed ID	22544665
published in	wds:Q56980579-D2CA615D-79CB-4B80-9063-0B35BD8080F9
published in	Chirality
issue	wds:Q56980579-96C0E783-C267-4DD7-BD72-F88DDA401733
volume	wds:Q56980579-AC105DDF-45D4-473C-A145-F42083088A6A
issue	9
volume	24
DOI	wds:Q56980579-FD92F1E3-237E-4AC9-9ACB-A6B065A42819
DOI	http://dx.doi.org/10.1002/CHIR.22043
DOI	10.1002/CHIR.22043
is about of	https://www.wikidata.org/wiki/Special:EntityData/Q56980579
is cites work of	Computationally assisted assignment of kahalalide Y configuration using an NMR-constrained conformational search
is cites work of	wds:Q36642031-0F837A63-3AB9-48E7-AF5E-CC1E0A792D9A

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