Electronic circular dichroism of disulphide bridge: Ab initio quantum-chemical calculations

Wojciech Skomorowski; Magdalena Pecul; Paweł Sałek; Trygve Helgaker

doi:10.1063/1.2759203

Electronic circular dichroism of disulphide bridge: Ab initio quantum-chemical calculations

The Journal of Chemical Physics ◽

10.1063/1.2759203 ◽

2007 ◽

Vol 127 (8) ◽

pp. 085102 ◽

Cited By ~ 14

Author(s):

Wojciech Skomorowski ◽

Magdalena Pecul ◽

Paweł Sałek ◽

Trygve Helgaker

Keyword(s):

Circular Dichroism ◽

Ab Initio ◽

Quantum Chemical Calculations ◽

Quantum Chemical ◽

Disulphide Bridge ◽

Electronic Circular Dichroism ◽

Circular Dichroïsm

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Quantum-chemical calculations on the electronic circular dichroism of (−)-dibromophakellin and (−)-dibromophakell-statin

Chirality ◽

10.1002/chir.20388 ◽

2007 ◽

Vol 19 (7) ◽

pp. 542-549 ◽

Cited By ~ 6

Author(s):

Iuliana Atodiresei ◽

Michael Zöllinger ◽

Thomas Lindel ◽

Jörg Fleischhauer ◽

Gerhard Raabe

Keyword(s):

Circular Dichroism ◽

Quantum Chemical Calculations ◽

Quantum Chemical ◽

Electronic Circular Dichroism ◽

Circular Dichroïsm

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Conformational Analysis of Ac-NPGQ-NH2 and Ac-VPaH-NH2 by Vibrational Circular Dichroism Spectroscopy Combined with Molecular Dynamics and Quantum Chemical Calculations

Protein and Peptide Letters ◽

10.2174/092986607780363907 ◽

2007 ◽

Vol 14 (4) ◽

pp. 353-359 ◽

Cited By ~ 4

Author(s):

Attila Borics ◽

Richard Murphy ◽

Sandor Lovas

Keyword(s):

Molecular Dynamics ◽

Circular Dichroism ◽

Conformational Analysis ◽

Quantum Chemical Calculations ◽

Quantum Chemical ◽

Circular Dichroism Spectroscopy ◽

Vibrational Circular Dichroism ◽

Circular Dichroïsm

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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

The Journal of Organic Chemistry ◽

10.1021/jo0357061 ◽

2004 ◽

Vol 69 (6) ◽

pp. 1948-1958 ◽

Cited By ~ 77

Author(s):

P. J. Stephens ◽

D. M. McCann ◽

E. Butkus ◽

S. Stončius ◽

J. R. Cheeseman ◽

...

Keyword(s):

Circular Dichroism ◽

Dft Calculations ◽

Ab Initio ◽

Absolute Configuration ◽

Optical Rotation ◽

Electronic Circular Dichroism ◽

Determination Of Absolute Configuration ◽

Circular Dichroïsm ◽

Ab Initio Dft

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Ab Initio Modeling of the Electronic Circular Dichroism Induced in Porphyrin Chromophores

The Journal of Physical Chemistry A ◽

10.1021/jp711364j ◽

2008 ◽

Vol 112 (13) ◽

pp. 2920-2929 ◽

Cited By ~ 18

Author(s):

Jiří Šebek ◽

Petr Bouř

Keyword(s):

Circular Dichroism ◽

Ab Initio ◽

Electronic Circular Dichroism ◽

Ab Initio Modeling ◽

Circular Dichroïsm

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ChemInform Abstract: Electronic States of Benzo(a)pyrene. Linear and Magnetic Circular Dichroism, Polarized Fluorescence, and Quantum Chemical Calculations.

ChemInform ◽

10.1002/chin.199227044 ◽

2010 ◽

Vol 23 (27) ◽

pp. no-no

Author(s):

J. SPANGET-LARSEN ◽

J. WALUK ◽

S. ERIKSSON ◽

E. W. THULSTRUP

Keyword(s):

Circular Dichroism ◽

Quantum Chemical Calculations ◽

Quantum Chemical ◽

Magnetic Circular Dichroism ◽

Electronic States ◽

Polarized Fluorescence ◽

Circular Dichroïsm

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ChemInform Abstract: Electronic States of Chrysene. Linear and Magnetic Circular Dichroism and Quantum Chemical Calculations.

ChemInform ◽

10.1002/chin.199024044 ◽

1990 ◽

Vol 21 (24) ◽

Author(s):

J. SPANGET-LARSEN ◽

J. WALUK ◽

E. W. THULSTRUP

Keyword(s):

Circular Dichroism ◽

Quantum Chemical Calculations ◽

Quantum Chemical ◽

Magnetic Circular Dichroism ◽

Electronic States ◽

Circular Dichroïsm

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Unveiling excited-state chirality of binaphthols by sub-picosecond circular dichroism and quantum-chemical calculations

Organic Photonic Materials and Devices XXII ◽

10.1117/12.2539823 ◽

2020 ◽

Author(s):

Pascale Changenet ◽

Francois Hache

Keyword(s):

Circular Dichroism ◽

Excited State ◽

Quantum Chemical Calculations ◽

Quantum Chemical ◽

Circular Dichroïsm

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Electronic states of chrysene: linear and magnetic circular dichroism and quantum chemical calculations [Erratum to document cited in CA112(14):127928v]

The Journal of Physical Chemistry ◽

10.1021/j100380a072 ◽

1990 ◽

Vol 94 (17) ◽

pp. 6926-6926 ◽

Cited By ~ 1

Author(s):

Jens. Spanget-Larsen ◽

Jacek. Waluk ◽

Erik W. Thulstrup

Keyword(s):

Circular Dichroism ◽

Quantum Chemical Calculations ◽

Quantum Chemical ◽

Magnetic Circular Dichroism ◽

Electronic States ◽

Circular Dichroïsm

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The Ab Initio Calculation of Optical Rotation and Electronic Circular Dichroism

Response Theory and Molecular Properties (A Tribute to Jan Linderberg and Poul Jørgensen) - Advances in Quantum Chemistry ◽

10.1016/s0065-3276(05)50009-1 ◽

2005 ◽

pp. 185-212 ◽

Cited By ~ 83

Author(s):

Magdalena Pecul ◽

Kenneth Ruud

Keyword(s):

Circular Dichroism ◽

Ab Initio ◽

Ab Initio Calculation ◽

Optical Rotation ◽

Electronic Circular Dichroism ◽

Circular Dichroïsm

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Helical Superstructure and Charged Polarons Contributions to Optical Nonlinearity of 2-Methyl-4-nitroaniline Crystals Studied by Resonance Raman, Electron Paramagnetic Resonance, Circular Dichroism Spectroscopies, and Quantum Chemical Calculations

The Journal of Physical Chemistry A ◽

10.1021/jp204168s ◽

2011 ◽

Vol 115 (26) ◽

pp. 7448-7455 ◽

Cited By ~ 12

Author(s):

M. Magdalena Szostak ◽

Henryk Chojnacki ◽

Katarzyna Piela ◽

Urszula Okwieka-Lupa ◽

Ewa Bidzińska ◽

...

Keyword(s):

Electron Paramagnetic Resonance ◽

Circular Dichroism ◽

Quantum Chemical Calculations ◽

Quantum Chemical ◽

Resonance Raman ◽

Optical Nonlinearity ◽

Paramagnetic Resonance ◽

Electron Paramagnetic ◽

Circular Dichroïsm

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