Magnetic circular dichroism spectra from resonant and damped coupled cluster response theory-Reference-Cited by-同舟云学术

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Magnetic circular dichroism spectra from resonant and damped coupled cluster response theory

Published:2020-09-21 Issue:11 Volume:153 Page:114105
ISSN:0021-9606
Container-title:The Journal of Chemical Physics
language:en
Short-container-title:J. Chem. Phys.

Author:

Faber R.¹^ORCID,Ghidinelli S.²^ORCID,Hättig C.³^ORCID,Coriani S.¹^ORCID

Affiliation:

1. DTU Chemistry, Technical University of Denmark, Kemitorvet Bldg. 207, DK-2800 Kongens Lyngby, Denmark

2. Department of Molecular and Translational Medicine, Università degli Studi di Brescia, Viale Europa 11, I-25123 Brescia, Italy

3. Arbeitsgruppe Quantenchemie, Ruhr-Universität Bochum, Bochum D-44780, Germany

Funder

Deutsche Forschungsgemeinschaft

Natur og Univers, Det Frie Forskningsråd

Ministero dell’Istruzione, dell’Università e della Ricerca

Università degli Studi di Brescia

Publisher

AIP Publishing

Subject

Physical and Theoretical Chemistry,General Physics and Astronomy

Link

http://aip.scitation.org/doi/pdf/10.1063/5.0013398

Reference45 articles.

1. A Practical Guide to Magnetic Circular Dichroism Spectroscopy

2. Magnetic Optical Activity

3. Use of semi-empirical models for calculation of B terms in MCD spectra. Aromatic hydrocarbons: prediction of substituent and heteroatom effects from PPP model

4. Magnetic circular dichroism of cyclic .pi.-electron systems. 4. Aza analogs of benzene

5. The long-wavelength MCD of some quinones and its interpretation by semi-empirical MO methods

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1. Experimental and theoretical aspects of magnetic circular dichroism and magnetic circularly polarized luminescence in the UV, visible and IR ranges: A review;Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy;2024-10

2. Time-Resolved Circular Dichroism in Molecules: Experimental and Theoretical Advances;Molecules;2024-08-27

3. Insights into localization, energy ordering, and substituent effect in excited states of azobenzenes from coupled cluster calculations of nuclear spin-induced circular dichroism;Physical Chemistry Chemical Physics;2024

4. Efficient Protocol for Computing MCD Spectra in a Broad Frequency Range Combining Resonant and Damped CC2 Quadratic Response Theory;Journal of Chemical Theory and Computation;2023-08-31

5. Magnetic circular dichroism within the algebraic diagrammatic construction scheme of the polarization propagator up to third order;The Journal of Chemical Physics;2022-11-07

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