(Q51627102)

English

Determination of the absolute configurations of flexible molecules: synthesis and theoretical simulation of electronic circular dichroism/optical rotation of some pyrrolo[2,3-b]indoline alkaloids--a case study.

scientific article published in June 2007

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scholarly article

1 reference

Europe PubMed Central

PubMed publication ID

8 April 2018

http://europepmc.org/abstract/MED/17393468

Determination of the absolute configurations of flexible molecules: synthesis and theoretical simulation of electronic circular dichroism/optical rotation of some pyrrolo[2,3-b]indoline alkaloids--a case study. (English)

1 reference

Europe PubMed Central

PubMed publication ID

8 April 2018

http://europepmc.org/abstract/MED/17393468

Luisella Verotta

3

1 reference

Europe PubMed Central

PubMed publication ID

8 April 2018

http://europepmc.org/abstract/MED/17393468

5

object named as

Nina Berova

1 reference

Europe PubMed Central

PubMed publication ID

8 April 2018

4

object named as

Koji Nakanishi

1 reference

Europe PubMed Central

PubMed publication ID

8 April 2018

author name string

Egidio Giorgio

1

1 reference

Europe PubMed Central

PubMed publication ID

8 April 2018

http://europepmc.org/abstract/MED/17393468

Katsunori Tanaka

2

1 reference

Europe PubMed Central

PubMed publication ID

8 April 2018

http://europepmc.org/abstract/MED/17393468

Carlo Rosini

6

1 reference

Europe PubMed Central

PubMed publication ID

8 April 2018

http://europepmc.org/abstract/MED/17393468

publication date

1 June 2007

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Europe PubMed Central

PubMed publication ID

8 April 2018

http://europepmc.org/abstract/MED/17393468

1 reference

Europe PubMed Central

PubMed publication ID

8 April 2018

http://europepmc.org/abstract/MED/17393468

19

1 reference

Europe PubMed Central

PubMed publication ID

8 April 2018

http://europepmc.org/abstract/MED/17393468

6

1 reference

Europe PubMed Central

PubMed publication ID

8 April 2018

http://europepmc.org/abstract/MED/17393468

434-445

1 reference

Europe PubMed Central

PubMed publication ID

8 April 2018

http://europepmc.org/abstract/MED/17393468

Dimeric alkaloids fromPsychotria forsteriana

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Pyrrolidinoindoline Alkaloids from Psychotria colorata1

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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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Optical rotation: recent advances in determining the absolute configuration

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Intrinsic rotation and molecular structure.

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Systematic Assignment of the Configuration of Flexible Natural Products by Spectroscopic and Computational Methods: The Bistramide C Analysis

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Ab initio prediction of optical rotation: comparison of density functional theory and Hartree-Fock methods for three 2,7,8-trioxabicyclo[3.2.1]octanes

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Polarizable Continuum Model (PCM) Calculations of Solvent Effects on Optical Rotations of Chiral Molecules

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Determination of absolute configuration using optical rotation calculated using density functional theory

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Determination of absolute configuration using ab initio calculation of optical rotation

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Determination of absolute configuration using concerted ab Initio DFT calculations of electronic circular dichroism and optical rotation: bicyclo[3.3.1]nonane diones

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Determination of absolute configurations of chiral molecules using ab initio time-dependent Density Functional Theory calculations of optical rotation: how reliable are absolute configurations obtained for molecules with small rotations?

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Determination of absolute configuration using density functional theory calculations of optical rotation and electronic circular dichroism: chiral alkenes

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An improved method for density functional calculations of the frequency-dependent optical rotation

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Ab initio calculations for the optical rotations of conformationally flexible molecules: a case study on six-, seven-, and eight-membered fluorinated cycloalkanol esters.

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Structure−Property Relationships of Prototypical Chiral Compounds: Case Studies†,‡

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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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Zero-point vibrational effects on optical rotation

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

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Conformational Effects on the Optical Rotation of Alanine and Proline

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10.1002/CHIR.20395

1 reference

Europe PubMed Central

PubMed publication ID

8 April 2018

http://europepmc.org/abstract/MED/17393468

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PubMed publication ID

1 reference

Europe PubMed Central

PubMed publication ID

8 April 2018

http://europepmc.org/abstract/MED/17393468

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