Electronic circular dichroism spectra from the complex polarization propagator

The Journal of Chemical Physics ◽

10.1063/1.2716660 ◽

2007 ◽

Vol 126 (13) ◽

pp. 134102 ◽

Author(s):

Auayporn Jiemchooroj ◽

Patrick Norman

Keyword(s):

Circular Dichroism ◽

Circular Dichroism Spectra ◽

Electronic Circular Dichroism ◽

Polarization Propagator ◽

Circular Dichroïsm ◽

Complex Polarization

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Electronic circular dichroism spectra using the algebraic diagrammatic construction schemes of the polarization propagator up to third order

The Journal of Chemical Physics ◽

10.1063/5.0038315 ◽

2021 ◽

Vol 154 (6) ◽

pp. 064107

Author(s):

Mikael Scott ◽

Dirk R. Rehn ◽

Sonia Coriani ◽

Patrick Norman ◽

Andreas Dreuw

Keyword(s):

Circular Dichroism ◽

Circular Dichroism Spectra ◽

Third Order ◽

Electronic Circular Dichroism ◽

Polarization Propagator ◽

Circular Dichroïsm

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Near-edge x-ray absorption and natural circular dichroism spectra of L-alanine: A theoretical study based on the complex polarization propagator approach

The Journal of Chemical Physics ◽

10.1063/1.2800024 ◽

2007 ◽

Vol 127 (16) ◽

pp. 165104 ◽

Author(s):

Auayporn Jiemchooroj ◽

Ulf Ekström ◽

Patrick Norman

Keyword(s):

Circular Dichroism ◽

Theoretical Study ◽

Circular Dichroism Spectra ◽

X Ray ◽

Polarization Propagator ◽

X Ray Absorption ◽

Circular Dichroïsm ◽

Complex Polarization

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X-ray absorption and natural circular dichroism spectra of C84: A theoretical study using the complex polarization propagator approach

The Journal of Chemical Physics ◽

10.1063/1.2937906 ◽

2008 ◽

Vol 128 (23) ◽

pp. 234304 ◽

Author(s):

Auayporn Jiemchooroj ◽

Patrick Norman

Keyword(s):

Circular Dichroism ◽

Theoretical Study ◽

Circular Dichroism Spectra ◽

X Ray ◽

Polarization Propagator ◽

X Ray Absorption ◽

Circular Dichroïsm ◽

Complex Polarization

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Complex polarization propagator calculations of magnetic circular dichroism spectra

The Journal of Chemical Physics ◽

10.1063/1.2834924 ◽

2008 ◽

Vol 128 (9) ◽

pp. 094103 ◽

Author(s):

Harald Solheim ◽

Kenneth Ruud ◽

Sonia Coriani ◽

Patrick Norman

Keyword(s):

Circular Dichroism ◽

Magnetic Circular Dichroism ◽

Circular Dichroism Spectra ◽

Polarization Propagator ◽

Circular Dichroïsm ◽

Magnetic Circular Dichroism Spectra ◽

Complex Polarization

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Excitonic Model for Strongly Coupled Multichromophoric Systems: The Electronic Circular Dichroism Spectra of Guanine Quadruplexes as Test Cases

Journal of Chemical Theory and Computation ◽

10.1021/acs.jctc.0c01100 ◽

2020 ◽

Author(s):

James A. Green ◽

Haritha Asha ◽

Fabrizio Santoro ◽

Roberto Improta

Keyword(s):

Circular Dichroism ◽

Circular Dichroism Spectra ◽

Electronic Circular Dichroism ◽

Strongly Coupled ◽

Circular Dichroïsm

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Performance of Conventional and Range-Separated Hybrid Density Functionals in Calculations of Electronic Circular Dichroism Spectra of Transition Metal Complexes

The Journal of Physical Chemistry A ◽

10.1021/jp2093725 ◽

2011 ◽

Vol 115 (51) ◽

pp. 14677-14686 ◽

Author(s):

Mark Rudolph ◽

Jochen Autschbach

Keyword(s):

Circular Dichroism ◽

Transition Metal ◽

Metal Complexes ◽

Transition Metal Complexes ◽

Density Functionals ◽

Circular Dichroism Spectra ◽

Electronic Circular Dichroism ◽

Circular Dichroïsm

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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 ◽

Author(s):

Joachim Podlech ◽

Stefanie C. Fleck ◽

Manfred Metzler ◽

Jochen Bürck ◽

Anne S. Ulrich

Keyword(s):

Circular Dichroism ◽

Absolute Configuration ◽

Circular Dichroism Spectra ◽

Electronic Circular Dichroism ◽

The Absolute ◽

Circular Dichroïsm

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Calculation of electronic circular dichroism spectra by rotating wave approximation

Chemical Physics ◽

10.1016/j.chemphys.2005.11.033 ◽

2006 ◽

Vol 324 (2-3) ◽

pp. 622-630 ◽

Author(s):

Y. Ma ◽

A. Salam

Keyword(s):

Circular Dichroism ◽

Circular Dichroism Spectra ◽

Electronic Circular Dichroism ◽

Rotating Wave Approximation ◽

Wave Approximation ◽

Rotating Wave ◽

Circular Dichroïsm

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Determination of the absolute configuration of aromatase and dual aromatase-sulfatase inhibitors by vibrational and electronic circular dichroism spectra analysis

Chirality ◽

10.1002/chir.20685 ◽

2009 ◽

Vol 21 (9) ◽

pp. 802-808 ◽

Author(s):

Sergio Abbate ◽

Giovanna Longhi ◽

Ettore Castiglioni ◽

France Lebon ◽

Paul M. Wood ◽

...

Keyword(s):

Circular Dichroism ◽

Absolute Configuration ◽

Circular Dichroism Spectra ◽

Electronic Circular Dichroism ◽

Spectra Analysis ◽

The Absolute ◽

Circular Dichroïsm

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Characterization of stereoisomeric 5-(2-nitro-1-phenylethyl)furan-2(5H )-ones by computation of 1 H and 13 C NMR chemical shifts and electronic circular dichroism spectra

Magnetic Resonance in Chemistry ◽

10.1002/mrc.5073 ◽

2020 ◽

Author(s):

Dayane T. Lopes ◽

Thomas R. Hoye ◽

Elson S. Alvarenga

Keyword(s):

Circular Dichroism ◽

Chemical Shifts ◽

Circular Dichroism Spectra ◽

Electronic Circular Dichroism ◽

Nmr Chemical Shifts ◽

Circular Dichroïsm ◽

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