(Q48968379)

17 February 2018

title

SpecDis: quantifying the comparison of calculated and experimental electronic circular dichroism spectra (English)

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17 February 2018

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17 February 2018

Gerhard Bringmann

series ordinal

object named as

Gerhard Bringmann

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17 February 2018

Anu Schaumlöffel

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object named as

Anu Schaumlöffel

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17 February 2018

author name string

Yasmin Hemberger

series ordinal

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17 February 2018

publication date

1 April 2013

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17 February 2018

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17 February 2018

volume

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17 February 2018

issue

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17 February 2018

page(s)

243-249

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17 February 2018

Absolute structural elucidation of natural products--a focus on quantum-mechanical calculations of solid-state CD spectra

cites work

1 reference

https://api.crossref.org/works/10.1002%2FCHIR.22138

Computing chiroptical properties with first-principles theoretical methods: background and illustrative examples

21 January 2018

1 reference

https://api.crossref.org/works/10.1002%2FCHIR.22138

Extensive TD-DFT Benchmark: Singlet-Excited States of Organic Molecules

21 January 2018

1 reference

https://api.crossref.org/works/10.1002%2FCHIR.22138

Computation of accurate excitation energies for large organic molecules with double-hybrid density functionals

21 January 2018

1 reference

https://api.crossref.org/works/10.1002%2FCHIR.22138

On the chiroptical behavior of conjugated multichromophoric compounds of a new pseudoaromatic class: bicolchicides and biisocolchicides

21 January 2018

1 reference

https://api.crossref.org/works/10.1002%2FCHIR.22138

A confidence level algorithm for the determination of absolute configuration using vibrational circular dichroism or Raman optical activity

21 January 2018

1 reference

https://api.crossref.org/works/10.1002%2FCHIR.22138

Determination of relative configuration in organic compounds by NMR spectroscopy and computational methods.

21 January 2018

1 reference

https://api.crossref.org/works/10.1002%2FCHIR.22138

Theoretical thermodynamics for large molecules: walking the thin line between accuracy and computational cost

21 January 2018

1 reference

https://api.crossref.org/works/10.1002%2FCHIR.22138

Conformational aspects in the studies of organic compounds by electronic circular dichroism

21 January 2018

1 reference

https://api.crossref.org/works/10.1002%2FCHIR.22138

Cleavage of four carbon-carbon bonds during biosynthesis of the griseorhodin a spiroketal pharmacophore.

21 January 2018

1 reference

https://api.crossref.org/works/10.1002%2FCHIR.22138

Molecular structure determination using chiroptical spectroscopy: where we may go wrong?

21 January 2018

1 reference

https://api.crossref.org/works/10.1002%2FCHIR.22138

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.

21 January 2018

1 reference

https://api.crossref.org/works/10.1002%2FCHIR.22138

TD-DFT Performance for the Visible Absorption Spectra of Organic Dyes: Conventional versus Long-Range Hybrids

21 January 2018

1 reference

https://api.crossref.org/works/10.1002%2FCHIR.22138

Double-Hybrid Density Functionals Provide a Balanced Description of Excited1Laand1LbStates in Polycyclic Aromatic Hydrocarbons

21 January 2018

1 reference

https://api.crossref.org/works/10.1002%2FCHIR.22138

Assessment of TD-DFT methods and of various spin scaled CIS(D) and CC2 versions for the treatment of low-lying valence excitations of large organic dyes

21 January 2018

1 reference

https://api.crossref.org/works/10.1002%2FCHIR.22138

Circular dichroism: electronic

21 January 2018

1 reference

https://api.crossref.org/works/10.1002%2FCHIR.22138

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

21 January 2018

1 reference

https://api.crossref.org/works/10.1002%2FCHIR.22138

7 January 2021

Performance of Conventional and Range-Separated Hybrid Density Functionals in Calculations of Electronic Circular Dichroism Spectra of Transition Metal Complexes

1 reference

https://api.crossref.org/works/10.1002%2FCHIR.22138

7 January 2021

An Exciton-Coupled Circular Dichroism Protocol for the Determination of Identity, Chirality, and Enantiomeric Excess of Chiral Secondary Alcohols

1 reference

https://api.crossref.org/works/10.1002%2FCHIR.22138

7 January 2021

Trigocherrin A, the first natural chlorinated daphnane diterpene orthoester from Trigonostemon cherrieri

1 reference

https://api.crossref.org/works/10.1002%2FCHIR.22138

7 January 2021

Grecocyclines: New Angucyclines from Streptomyces sp. Acta 1362

1 reference

https://api.crossref.org/works/10.1002%2FCHIR.22138

7 January 2021

Polyisoprenylated benzophenone derivatives from the fruits of Garcinia cambogia and their absolute configuration by quantum chemical circular dichroism calculations

1 reference

https://api.crossref.org/works/10.1002%2FCHIR.22138

7 January 2021

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

1 reference

https://api.crossref.org/works/10.1002%2FCHIR.22138

7 January 2021

(+)-Flavipucine, the Missing Member of the Pyridione Epoxide Family of Fungal Antibiotics

1 reference

https://api.crossref.org/works/10.1002%2FCHIR.22138

7 January 2021

On the Determination of the Stereochemistry of Semisynthetic Natural Product Analogues using Chiroptical Spectroscopy: Desulfurization of Epidithiodioxopiperazine Fungal Metabolites

1 reference

https://api.crossref.org/works/10.1002%2FCHIR.22138

7 January 2021

Identifiers

DOI

10.1002/CHIR.22138

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17 February 2018

1 reference

17 February 2018