Determination of Absolute Configuration Using Concerted ab Initio DFT Calculations of Electronic Circular Dichroism and Optical Rotation:  Bicyclo[3.3.1]nonane Diones

Circular Dichroïsm ◽

Ab Initio Dft

Determination of absolute configuration and binding efficacy of benzimidazole-based FabI inhibitors through the support of electronic circular dichroism and MM-GBSA techniques

Bioorganic & Medicinal Chemistry Letters ◽

10.1016/j.bmcl.2018.04.052 ◽

2018 ◽

Vol 28 (11) ◽

pp. 2074-2079 ◽

Cited By ~ 8

Author(s):

Jinhong Ren ◽

Tina L. Mistry ◽

Pin-Chih Su ◽

Shahila Mehboob ◽

Robel Demissie ◽

...

Keyword(s):

Circular Dichroism ◽

Absolute Configuration ◽

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):

Density Functional Theory ◽

Absolute Configuration ◽

Density Functional ◽

Optical Rotation ◽

Density Functional Theory Calculations ◽

Functional Theory ◽

The first enantiomeric discorhabdin alkaloids and determination of absolute configuration using TDDFT calculations of electronic circular dichroism data

Planta Medica ◽

10.1055/s-0028-1083912 ◽

2008 ◽

Vol 74 (09) ◽

Author(s):

T Grkovic ◽

XC Li ◽

Y Ding ◽

D Ferreira ◽

BR Copp

Keyword(s):

Circular Dichroism ◽

Absolute Configuration ◽

Tddft Calculations ◽

Circular Dichroism Data ◽

Solving the Puzzling Absolute Configuration Determination of a Flexible Molecule by Vibrational and Electronic Circular Dichroism Spectroscopies and DFT Calculations: The Case Study of a Chiral 2,2′-Dinitro-2,2′-biaziridine

European Journal of Organic Chemistry ◽

10.1002/ejoc.201000762 ◽

2010 ◽

Vol 2010 (32) ◽

pp. 6193-6199 ◽

Cited By ~ 11

Author(s):

Sergio Abbate ◽

Alessia Ciogli ◽

Stefania Fioravanti ◽

Francesco Gasparrini ◽

Giovanna Longhi ◽

...

Keyword(s):

Circular Dichroism ◽

Dft Calculations ◽

Absolute Configuration ◽

Flexible Molecule ◽

Application of Electronic Circular Dichroism Spectroscopic Methods in Determination of Absolute Configuration of Chiral Metal Complexes

Daxue Huaxue ◽

10.3866/pku.dxhx201612016 ◽

2017 ◽

Vol 32 (3) ◽

pp. 1-14

Author(s):

Hui ZHANG ◽

Keyword(s):

Circular Dichroism ◽

Metal Complexes ◽

Absolute Configuration ◽

Spectroscopic Methods ◽

Determination of Absolute Configuration of Natural Products: Theoretical Calculation of Electronic Circular Dichroism as a Tool

Current Organic Chemistry ◽

10.2174/138527210792927717 ◽

2010 ◽

Vol 14 (16) ◽

pp. 1678-1697 ◽

Cited By ~ 191

Author(s):

Xing-Cong Li ◽

Daneel Ferreira ◽

Yuanqing Ding

Keyword(s):

Natural Products ◽

Circular Dichroism ◽

Theoretical Calculation ◽

Absolute Configuration ◽

ChemInform Abstract: Determination of Absolute Configuration of Natural Products: Theoretical Calculation of Electronic Circular Dichroism as a Tool

ChemInform ◽

10.1002/chin.201111273 ◽

2011 ◽

Vol 42 (11) ◽

pp. no-no

Author(s):

Xing-Cong Li ◽

Daneel Ferreira ◽

Yuanqing Ding

Keyword(s):

Natural Products ◽

Circular Dichroism ◽

Theoretical Calculation ◽

Absolute Configuration ◽

Determination of absolute configuration of an isopimarane-type diterpenoid by experimental and theoretical electronic circular dichroism and vibrational circular dichroism

Journal of Molecular Structure ◽

10.1016/j.molstruc.2017.06.040 ◽

2017 ◽

Vol 1146 ◽

pp. 484-489 ◽

Cited By ~ 4

Author(s):

Zhi-Qiang Wang ◽

Cheng-Jun Wu ◽

Zhen-Hui Wang ◽

Chao Huang ◽

Jian Huang ◽

...

Keyword(s):

Circular Dichroism ◽

Absolute Configuration ◽

Vibrational Circular Dichroism ◽

Determination of the Absolute Configuration of Perylene Quinone-Derived Mycotoxins by Measurement and Calculation of Electronic Circular Dichroism Spectra and Specific Rotations

Chemistry - A European Journal ◽

10.1002/chem.201402567 ◽

2014 ◽

Vol 20 (36) ◽

pp. 11463-11470 ◽

Cited By ~ 9

Author(s):

Joachim Podlech ◽

Stefanie C. Fleck ◽

Manfred Metzler ◽

Jochen Bürck ◽

Anne S. Ulrich

Keyword(s):

Circular Dichroism ◽

Absolute Configuration ◽

Circular Dichroism Spectra ◽

The Absolute ◽

Determination of absolute configuration using vibrational circular dichroism spectroscopy: phenyl glycidic acid derivatives obtained via asymmetric epoxidation using oxone and a keto bile acid

Tetrahedron Asymmetry ◽

10.1016/j.tetasy.2005.06.035 ◽

2005 ◽

Vol 16 (15) ◽

pp. 2653-2663 ◽

Cited By ~ 25

Author(s):

Frank J. Devlin ◽

Philip J. Stephens ◽

Olga Bortolini

Keyword(s):

Circular Dichroism ◽

Bile Acid ◽

Absolute Configuration ◽

Circular Dichroism Spectroscopy ◽

Vibrational Circular Dichroism ◽

Asymmetric Epoxidation ◽