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Beyond DP4: An Improved Probability for the Stereochemical Assignment of Isomeric Compounds using Quantum Chemical Calculations of NMR Shifts
(American Chemical Society, 2015-11)
The DP4 probability is one of the most sophisticated and popular approaches for the stereochemical assignment of organic molecules using GIAO NMR chemical shift calculations when only one set of experimental data is ...
Total Synthesis and Structural Elucidation of Cryptolatifolione
(Royal Society of Chemistry, 2015-06)
An enantioselective total synthesis of Cryptolatifolione and its C-8 epimer is presented in a protecting-group-free fashion. The synthesis relied on the use of a catalytic double Krische allylation, catalytic olefin ...
Catalytic Asymmetric Synthesis and Stereochemical Revision of (+)-Cryptoconcatone H
(American Chemical Society, 2017-09)
The total synthesis and structural revision of (+)-cryptoconcatone H are described. Guided by computational studies for the final structure assignment, the stereogenic centers at the tetrahydropyran moiety of (+)-cryptoconcatone ...
Redefining the Impact of Boltzmann Analysis in the stereochemical assignment of polar and flexible molecules by NMR calculations
(American Chemical Society, 2022)
Total Synthesis And Stereochemical Assignment Of Cryptolatifolione
(ROYAL SOC CHEMISTRYCAMBRIDGE, 2015)
Total synthesis of (+)-crocacin D
(Amer Chemical SocWashingtonEUA, 2005)
Intra- and intermolecular hydrogen bonds in alkyl and silyl ethers: Experimental and theoretical analysis
(Amer Chemical SocWashingtonEUA, 2008)
Allyltrichlorostannane additions to chiral aldehydes
(Pergamon-elsevier Science LtdOxfordInglaterra, 2003)
Total Synthesis And Tentative Structural Elucidation Of Cryptomoscatone E3: Interplay Of Experimental And Computational Studies
(AMER CHEMICAL SOCWASHINGTON, 2015)
Vibrational spectroscopy as a direct stereochemical probe for polyhydroxylated molecules
(Royal Soc Chemistry, 2016-01-01)
A simple IR and VCD spectra-structure relationship is proposed for the determination of the relative and absolute configurations of polyhydroxylated molecules using a series of styryl-pyrones as model compounds. Spectral ...