Study on the absolute configuration of levetiracetam via density functional theory calculations of electronic circular dichroism and optical rotatory dispersion

Absolute Configuration ◽

Density Functional ◽

Rotatory Dispersion ◽

Optical Rotatory ◽

Functional Theory ◽

The Absolute

ChemInform Abstract: Density Functional Theory Calculations of the Optical Rotation and Electronic Circular Dichroism: The Absolute Configuration of the Highly Flexible trans-Isocytoxazone Revised.

ChemInform ◽

10.1002/chin.201011206 ◽

2010 ◽

Vol 41 (11) ◽

pp. no-no

Author(s):

Marcin Kwit ◽

Maria D. Rozwadowska ◽

Jacek Gawronski ◽

Agnieszka Grajewska

Keyword(s):

Circular Dichroism ◽

Absolute Configuration ◽

Density Functional ◽

Optical Rotation ◽

Functional Theory ◽

The Absolute ◽

Determination of Absolute Configurations of 4-Hydroxyequilenin-Cytosine and -Adenine Adducts by Optical Rotatory Dispersion, Electronic Circular Dichroism, Density Functional Theory Calculations, and Mass Spectrometry

Chemical Research in Toxicology ◽

10.1021/tx800095f ◽

2008 ◽

Vol 21 (9) ◽

pp. 1739-1748 ◽

Cited By ~ 7

Author(s):

Shuang Ding ◽

Yan Wang ◽

Alexander Kolbanovskiy ◽

Alexander Durandin ◽

Judy L. Bolton ◽

...

Keyword(s):

Mass Spectrometry ◽

Density Functional ◽

Rotatory Dispersion ◽

Optical Rotatory ◽

Functional Theory ◽

Adenine Adducts

Density Functional Theory Calculations of the Optical Rotation and Electronic Circular Dichroism: The Absolute Configuration of the Highly Flexibletrans-Isocytoxazone Revised

The Journal of Organic Chemistry ◽

10.1021/jo901175s ◽

2009 ◽

Vol 74 (21) ◽

pp. 8051-8063 ◽

Cited By ~ 38

Author(s):

Marcin Kwit ◽

Maria D. Rozwadowska ◽

Jacek Gawroński ◽

Agnieszka Grajewska

Keyword(s):

Circular Dichroism ◽

Absolute Configuration ◽

Density Functional ◽

Optical Rotation ◽

Functional Theory ◽

The Absolute ◽

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

The Journal of Chemical Physics ◽

10.1063/1.1647515 ◽

2004 ◽

Vol 120 (11) ◽

pp. 5027-5035 ◽

Cited By ~ 59

Author(s):

Patrick Norman ◽

Kenneth Ruud ◽

Trygve Helgaker

Keyword(s):

Resonant Frequency ◽

Density Functional ◽

Rotatory Dispersion ◽

Optical Rotatory ◽

Functional Theory

Determination of Absolute Configuration Using Density Functional Theory Calculations of Optical Rotation and Electronic Circular Dichroism: Chiral Alkenes

The Journal of Organic Chemistry ◽

10.1021/jo060755+ ◽

2006 ◽

Vol 71 (16) ◽

pp. 6074-6098 ◽

Cited By ~ 117

Author(s):

D. M. McCann ◽

P. J. Stephens

Keyword(s):

Absolute Configuration ◽

Density Functional ◽

Optical Rotation ◽

Functional Theory ◽

Determination Of Absolute Configuration ◽

Revising the Absolute Configurations of Coatlines via Density Functional Theory Calculations of Electronic Circular Dichroism Spectra

Chirality ◽

10.1002/chir.22129 ◽

2012 ◽

Vol 25 (3) ◽

pp. 180-184 ◽

Cited By ~ 13

Author(s):

Gregory Genta-Jouve ◽

Lionel Weinberg ◽

Vincent Cocandeau ◽

Yannick Maestro ◽

Olivier Paul Thomas ◽

...

Keyword(s):

Circular Dichroism ◽

Density Functional ◽

Circular Dichroism Spectra ◽

Functional Theory ◽

The Absolute ◽

Determination of the Absolute Configuration of [32](1,4)Barrelenophanedicarbonitrile Using Concerted Time-Dependent Density Functional Theory Calculations of Optical Rotation and Electronic Circular Dichroism

Journal of the American Chemical Society ◽

10.1021/ja049185q ◽

2004 ◽

Vol 126 (24) ◽

pp. 7514-7521 ◽

Cited By ~ 89

Author(s):

P. J. Stephens ◽

D. M. McCann ◽

F. J. Devlin ◽

J. R. Cheeseman ◽

M. J. Frisch

Keyword(s):

Absolute Configuration ◽

Density Functional ◽

Optical Rotation ◽

Time Dependent ◽

Functional Theory ◽

Dependent Density

Determination of the absolute configuration of chiral molecules via density functional theory calculations of vibrational circular dichroism and optical rotation: The chiral alkane D3-anti-trans-anti-trans-anti-trans-perhydrotriphenylene

Theoretical Chemistry Accounts ◽

10.1007/s00214-006-0245-7 ◽

2007 ◽

Vol 119 (1-3) ◽

pp. 19-28 ◽

Cited By ~ 19

Author(s):

P. J. Stephens ◽

F. J. Devlin ◽

S. Schürch ◽

J. Hulliger

Keyword(s):

Absolute Configuration ◽

Density Functional ◽

Optical Rotation ◽

Vibrational Circular Dichroism ◽

Chiral Molecules ◽

Functional Theory ◽

The Absolute

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

The Journal of Chemical Physics ◽

10.1063/1.2363372 ◽

2006 ◽

Vol 125 (19) ◽

pp. 194110 ◽

Cited By ~ 45

Author(s):

Mykhaylo Krykunov ◽

Matthew D. Kundrat ◽

Jochen Autschbach

Keyword(s):

Optical Activity ◽

Density Functional ◽

Time Dependent ◽

Rotatory Dispersion ◽

Theoretical Studies ◽

Optical Rotatory ◽

Functional Theory ◽

Dependent Density

Optical rotatory dispersion of methyloxirane in aqueous solution: assessing the performance of density functional theory in combination with a fully polarizable QM/MM/PCM approach

Optical Materials Express ◽

10.1364/ome.5.000196 ◽

2014 ◽

Vol 5 (1) ◽

pp. 196 ◽

Cited By ~ 21

Author(s):

Franco Egidi ◽

Ivan Carnimeo ◽

Chiara Cappelli

Keyword(s):

Aqueous Solution ◽

Density Functional ◽

Rotatory Dispersion ◽

Optical Rotatory ◽

Functional Theory