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Determination of Absolute Configuration Using Optical Rotation Calculated Using Density Functional Theory
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On the importance of vibrational contributions to small-angle optical rotation: Fluoro-oxirane in gas phase and solution
inferred← citeshttps://doi.org/10.1063/1.4953668openalex-snapshot
An atomic orbital based real-time time-dependent density functional theory for computing electronic circular dichroism band spectra
inferred← citeshttps://doi.org/10.1080/00268970902729277openalex-snapshot
Optical activity in conformationally flexible molecules: a theoretical study of large-amplitude vibrational averaging in (R)-3-chloro-1-butene
inferred← citeshttps://doi.org/10.1080/10286020.2025.2576000openalex-snapshot
Secondary metabolites with anti-inflammatory activity isolated from a marine-derived fungus Biscogniauxia sp. 8703
inferred← citeshttps://doi.org/10.18520/cs/v115/i11/2085-2094openalex-snapshot
Density Functional Theory-Based Quantum Rationalization of Flavones From Oroxylum indicum, their Correlation with Redox Effect, Molecular Interaction Studies and Osmotic Hemolysis
inferred← citeshttps://doi.org/10.3389/fntpr.2026.1916076openalex-snapshot
Stereochemistry of furofuran lignans from optical rotatory dispersion: potential and pitfalls
inferred← citeshttps://doi.org/10.3390/md19060305openalex-snapshot
Fusarins G–L with Inhibition of NO in RAW264.7 from Marine-Derived Fungus Fusarium solani 7227
inferred← citeshttps://doi.org/10.3762/bjoc.12.212openalex-snapshot
Determination of the absolute stereostructure of a cyclic azobenzene from the crystal structure of the precursor containing a heavy element
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