(Q51572305)

7 April 2018

title

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

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7 April 2018

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7 April 2018

author name string

Elke Debie

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Ewoud De Gussem

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Rina K Dukor

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Wouter Herrebout

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Laurence A Nafie

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publication date

3 May 2011

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7 April 2018

published in

ChemPhysChem

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volume

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issue

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page(s)

1542-1549

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Vibronic coupling theory of infrared vibrational transitions

cites work

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https://api.crossref.org/works/10.1002%2FCPHC.201100050

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

21 January 2018

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https://api.crossref.org/works/10.1002%2FCPHC.201100050

Solvent effects on IR and VCD spectra of natural products: an experimental and theoretical VCD study of pulegone

21 January 2018

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https://api.crossref.org/works/10.1002%2FCPHC.201100050

A DFT conformational analysis and VCD study on methyl tetrahydrofuran-2-carboxylate

21 January 2018

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https://api.crossref.org/works/10.1002%2FCPHC.201100050

Determination of the absolute configuration of three as-hydrindacene compounds by vibrational circular dichroism.

21 January 2018

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https://api.crossref.org/works/10.1002%2FCPHC.201100050

A novel computational method for comparing vibrational circular dichroism spectra

21 January 2018

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https://api.crossref.org/works/10.1002%2FCPHC.201100050

Computational Thermochemistry: Scale Factor Databases and Scale Factors for Vibrational Frequencies Obtained from Electronic Model Chemistries

21 January 2018

1 reference

https://api.crossref.org/works/10.1002%2FCPHC.201100050

Density-functional thermochemistry. III. The role of exact exchange

21 January 2018

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https://api.crossref.org/works/10.1002%2FCPHC.201100050

Development of the Colle-Salvetti correlation-energy formula into a functional of the electron density

21 January 2018

1 reference

https://api.crossref.org/works/10.1002%2FCPHC.201100050

Combination of theoretical ab initio and experimental information to obtain reliable harmonic force constants. Scaled quantum mechanical (QM) force fields for glyoxal, acrolein, butadiene, formaldehyde, and ethylene

21 January 2018

1 reference

https://api.crossref.org/works/10.1002%2FCPHC.201100050

Theory of vibrational circular dichroism

21 January 2018

1 reference

https://api.crossref.org/works/10.1002%2FCPHC.201100050

inferred from DOI database lookup

7 January 2021

based on heuristic

Vibrational Absorption and Circular Dichroism Studies of (−)-Camphanic Acid

1 reference

https://api.crossref.org/works/10.1002%2FCPHC.201100050

inferred from DOI database lookup

7 January 2021

based on heuristic

A generalized expression for the similarity of spectra: application to powder diffraction pattern classification

1 reference

https://api.crossref.org/works/10.1002%2FCPHC.201100050

inferred from DOI database lookup

7 January 2021

based on heuristic

Identifiers

DOI

10.1002/CPHC.201100050

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7 April 2018

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7 April 2018