(Q81412715)

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Why is it important to simultaneously use more than one chiroptical spectroscopic method for determining the structures of chiral molecules?

scientific article published on 01 May 2008

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8 January 2020

Why is it important to simultaneously use more than one chiroptical spectroscopic method for determining the structures of chiral molecules? (English)

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8 January 2020

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Prasad L. Polavarapu

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8 January 2020

publication date

1 May 2008

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8 January 2020

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8 January 2020

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8 January 2020

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8 January 2020

664-672

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8 January 2020

Renaissance in chiroptical spectroscopic methods for molecular structure determination.

1 reference

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Vibronic coupling theory of infrared vibrational transitions

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Velocity-dependent property surfaces and the theory of vibrational circular dichroism

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Theory of vibrational circular dichroism

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Absolute configuration determination of chiral molecules in the solution state using vibrational circular dichroism

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Determination of the structure of chiral molecules using ab initio vibrational circular dichroism spectroscopy

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Vibrational Raman optical activity calculations using London atomic orbitals

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Gauge-Origin Independent Density-Functional Theory Calculations of Vibrational Raman Optical Activity

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TDHF Evaluation of the Dipole-Quadrupole Polarizability and Its Geometrical Derivatives

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Optical rotation: recent advances in determining the absolute configuration

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Optical rotation studied by density-functional and coupled-cluster methods

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Origin invariant calculation of optical rotation without recourse to London orbitals

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Time-dependent density functional calculations of optical rotatory dispersion including resonance wavelengths as a potentially useful tool for determining absolute configurations of chiral molecules

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Assignment of the absolute configuration of [n]-ladderanes by TD-DFT optical rotation calculations

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Coupled cluster response calculation of natural chiroptical spectra

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Chiroptical properties from time-dependent density functional theory. I. Circular dichroism spectra of organic molecules

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Density functional theory calculation of electronic circular dichroism using London orbitals

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Determination of the absolute configuration of [3(2)](1,4)barrelenophanedicarbonitrile using concerted time-dependent density functional theory calculations of optical rotation and electronic circular dichroism

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Density-functional theory calculations of optical rotatory dispersion in the nonresonant and resonant frequency regions

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Calculation of circular dichroism spectra from optical rotatory dispersion, and vice versa, as complementary tools for theoretical studies of optical activity using time-dependent density functional theory

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Electronic circular dichroism spectra from the complex polarization propagator

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Resolution of enantiomers in solution and determination of the chirality of extended metal atom chains

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Absolute configuration of chirally deuterated neopentane

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A thermal and solvocontrollable cylindrical nanoshutter based on a single screw-sense helical polyguanidine.

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Spectroscopic investigation of the structures of dialkyl tartrates and their cyclodextrin complexes.

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Solvent Effect on Optical Rotation: A Case Study of Methyloxirane in Water

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DFT study of vibrational circular dichroism spectra of D-lactic acid-water complexes

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Absolute configuration and predominant conformations of 1,1-dimethyl-2-phenylethyl phenyl sulfoxide.

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Optical rotation of noncovalent aggregates

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Intermolecular association of tetrahydrofuran-2-carboxylic acid in solution: a vibrational circular dichroism study.

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Kramers-Kronig transformation for optical rotatory dispersion studies

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Kramers-Kronig transformation of experimental electronic circular dichroism: application to the analysis of optical rotatory dispersion in dimethyl-L-tartrate

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Identifiers

10.1002/CHIR.20475

1 reference

Europe PubMed Central

PubMed publication ID

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:17924421%20AND%20SRC:MED&resulttype=core&format=json

8 January 2020

PubMed publication ID

1 reference

Europe PubMed Central

PubMed publication ID

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:17924421%20AND%20SRC:MED&resulttype=core&format=json

8 January 2020

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