Comparison of Experimental and Calculated Chiroptical Spectra for Chiral Molecular Structure Determination

Synthesis of the Natural Product Building Block 5-(3-Bromophenyl)-4-hydroxy-5-methylhexan-2-one and its Chiral Characterization by Using Chiroptical Spectroscopy

(2013) Ewoud De Gussem et al.   CHEMPHYSCHEM

Vibrational Circular Dichroism Discrimination of Diastereomeric Cedranol Acetates

(2013) Bárbara Gordillo-Román et al.   CHIRALITY

SpecDis: Quantifying the Comparison of Calculated and Experimental Electronic Circular Dichroism Spectra

(2013) Torsten Bruhn et al.   CHIRALITY

Statistical Validation of Absolute Configuration Assignment in Vibrational Optical Activity

(2013) Jelle Vandenbussche et al.   Journal of Chemical Theory and Computation

Stereochemistry of the Tadalafil Diastereoisomers: A Critical Assessment of Vibrational Circular Dichroism, Electronic Circular Dichroism, and Optical Rotatory Dispersion

(2013) Shi Qiu et al.   JOURNAL OF MEDICINAL CHEMISTRY

Similarity in Dissymmetry Factor Spectra: A Quantitative Measure of Comparison between Experimental and Predicted Vibrational Circular Dichroism

(2013) Cody L. Covington et al.   JOURNAL OF PHYSICAL CHEMISTRY A

Molecular Structure Determination Using Chiroptical Spectroscopy: Where We May Go Wrong?

(2012) Prasad L. Polavarapu   CHIRALITY

Revisiting Vibrational Circular Dichroism Spectra of (S)-(+)-Carvone and (1S,2R,5S)-(+)-Menthol Using SimIR/VCD Method

(2012) Jian Shen et al.   Journal of Chemical Theory and Computation

How Many Chiral Centers Can Raman Optical Activity Spectroscopy Distinguish in a Molecule?

(2012) Benjamin Simmen et al.   JOURNAL OF PHYSICAL CHEMISTRY A

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

(2012) Ewoud De Gussem et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

A Confidence Level Algorithm for the Determination of Absolute Configuration Using Vibrational Circular Dichroism or Raman Optical Activity

(2011) Elke Debie et al.   CHEMPHYSCHEM

Reliability of computed signs and intensities for vibrational circular dichroism spectra

(2011) Sándor Góbi et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

A novel computational method for comparing vibrational circular dichroism spectra

(2010) Jian Shen et al.   SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY

Absolute Configuration of 3,3′-Diphenyl-[2,2′-binaphthalene]-1,1′-diol Revisited

(2009) Prasad L. Polavarapu et al.   JOURNAL OF ORGANIC CHEMISTRY

Robust normal modes in vibrational circular dichroism spectra

(2009) Valentin Paul Nicu et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Isotopic difference spectra as an aide in determining absolute configuration using vibrational optical activity: Vibrational circular dichroism of13C- and2H-labelled nonamethoxy cyclotriveratrylene

(2008) Teresa B. Freedman et al.   CHIRALITY