Conformational Dependence of the Circular Dichroism Spectra of Single Amino Acids from Plane-Waves-Based Density Functional Theory Calculations

Circular Dichroism ◽

Density Functional ◽

Plane Waves ◽

Functional Theory ◽

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 ◽

Functional Theory ◽

Electronic Circular Dichroism ◽

The Absolute ◽

The inclusion complexes between [Zn(dmit)2]2− anion and cyclodextrins: studied by induced circular dichroism spectra and density functional theory calculations

Journal of Inclusion Phenomena and Macrocyclic Chemistry ◽

10.1007/s10847-010-9834-0 ◽

2010 ◽

Vol 69 (1-2) ◽

pp. 231-243 ◽

Cited By ~ 1

Author(s):

Qi Wang ◽

Rui He ◽

Xian Cheng ◽

Changsheng Lu

Keyword(s):

Circular Dichroism ◽

Inclusion Complexes ◽

Density Functional ◽

Induced Circular Dichroism ◽

Induced Circular Dichroism Spectra

Functional Theory ◽

Circular Dichroïsm ◽

Density Functional Theory Calculations of Vibrational Absorption and Circular Dichroism Spectra of Dimethyl-l-tartrate

The Journal of Physical Chemistry A ◽

10.1021/jp037698y ◽

2004 ◽

Vol 108 (18) ◽

pp. 4080-4086 ◽

Cited By ~ 29

Author(s):

Thierry Buffeteau ◽

Laurent Ducasse ◽

Aurélie Brizard ◽

Ivan Huc ◽

Reiko Oda

Keyword(s):

Circular Dichroism ◽

Density Functional ◽

Functional Theory ◽

Vibrational Absorption ◽

Determination of the Absolute Configurations of Natural Products via Density Functional Theory Calculations of Vibrational Circular Dichroism, Electronic Circular Dichroism, and Optical Rotation: The Iridoids Plumericin and Isoplumericin

The Journal of Organic Chemistry ◽

10.1021/jo070155q ◽

2007 ◽

Vol 72 (9) ◽

pp. 3521-3536 ◽

Cited By ~ 75

Author(s):

P. J. Stephens ◽

J. J. Pan ◽

F. J. Devlin ◽

K. Krohn ◽

T. Kurtán

Keyword(s):

Natural Products ◽

Circular Dichroism ◽

Density Functional ◽

Optical Rotation ◽

Functional Theory ◽

Absolute Configuration Assignment of Norcamphor-Derived Furyl Hydroperoxide Using Density Functional Theory Calculations of Optical Rotation and Vibrational Circular Dichroism

The Journal of Organic Chemistry ◽

10.1021/jo902472b ◽

2010 ◽

Vol 75 (7) ◽

pp. 2179-2188 ◽

Cited By ~ 11

Author(s):

Alessandra Lattanzi ◽

Arrigo Scettri ◽

Riccardo Zanasi ◽

Frank J. Devlin ◽

Philip J. Stephens

Keyword(s):

Circular Dichroism ◽

Absolute Configuration ◽

Density Functional ◽

Optical Rotation ◽

Functional Theory ◽

Configuration Assignment ◽

Determination of the absolute configurations of natural products via density functional theory calculations of vibrational circular dichroism, electronic circular dichroism, and optical rotation: The iso-schizozygane alkaloids isoschizogaline and isoschizogamine

Chirality ◽

10.1002/chir.20466 ◽

2008 ◽

Vol 20 (3-4) ◽

pp. 454-470 ◽

Cited By ~ 52

Author(s):

Philip J. Stephens ◽

Jian-Jung Pan ◽

Frank J. Devlin ◽

Marie Urbanová ◽

Ondřej Julínek ◽

...

Keyword(s):

Natural Products ◽

Circular Dichroism ◽

Density Functional ◽

Optical Rotation ◽

Functional Theory ◽

Determination of the Absolute Configurations of Pharmacological Natural Products via Density Functional Theory Calculations of Vibrational Circular Dichroism: The New Cytotoxic Iridoid Prismatomerin

The Journal of Organic Chemistry ◽

10.1021/jo071183b ◽

2007 ◽

Vol 72 (20) ◽

pp. 7641-7649 ◽

Cited By ~ 68

Author(s):

Philip J. Stephens ◽

Jian-Jung Pan ◽

Karsten Krohn

Keyword(s):

Natural Products ◽

Circular Dichroism ◽

Density Functional ◽

Functional Theory ◽

The Absolute ◽

Circular Dichroism of Chiral 1,8,15,22-Tetra(alkoxyl)phthalocyaninato Lead and Yttrium Complexes: Time-Dependent Density Functional Theory Calculations

The Journal of Physical Chemistry A ◽

10.1021/jp903014s ◽

2009 ◽

Vol 113 (44) ◽

pp. 12179-12186 ◽

Cited By ~ 7

Author(s):

Yuexing Zhang ◽

Jianzhuang Jiang

Keyword(s):

Circular Dichroism ◽

Density Functional ◽

Time Dependent ◽

Functional Theory ◽

Yttrium Complexes ◽

Circular Dichroïsm ◽

Dependent Density

Prediction of Vibrational Circular Dichroism Spectra Using Density Functional Theory: Camphor and Fenchone

Journal of the American Chemical Society ◽

10.1021/ja961219+ ◽

1996 ◽

Vol 118 (26) ◽

pp. 6327-6328 ◽

Cited By ~ 50

Author(s):

F. J. Devlin ◽

P. J. Stephens ◽

J. R. Cheeseman ◽

M. J. Frisch

Keyword(s):

Circular Dichroism ◽

Density Functional ◽

Functional Theory ◽

ChemInform Abstract: Determination of the Absolute Configurations of Pharmacological Natural Products via Density Functional Theory Calculations of Vibrational Circular Dichroism: The New Cytotoxic Iridoid Prismatomerin.

ChemInform ◽

10.1002/chin.200806164 ◽

2008 ◽

Vol 39 (6) ◽

Author(s):

Philip J. Stephens ◽

Jian-Jung Pan ◽

Karsten Krohn

Keyword(s):

Natural Products ◽

Circular Dichroism ◽

Density Functional ◽

Functional Theory ◽

The Absolute ◽