Literature DB >> 19507206

Charge-transfer excitations and time-dependent density functional theory: problems and some proposed solutions.

Jochen Autschbach1.   

Abstract

Year:  2009        PMID： 19507206     DOI： 10.1002/cphc.200900268

Source DB:  PubMed          Journal:  Chemphyschem        ISSN： 1439-4235            Impact factor:   3.102


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  6 in total

1.  An assessment of low-lying excitation energies and triplet instabilities of organic molecules with an ab initio Bethe-Salpeter equation approach and the Tamm-Dancoff approximation.

Authors:  Tonatiuh Rangel; Samia M Hamed; Fabien Bruneval; Jeffrey B Neaton
Journal:  J Chem Phys       Date:  2017-05-21       Impact factor: 3.488

2.  Utilizing Experiment and Theory to Evaluate Rhodamine B ethylenediamine as a Fluorescent Sensor for G-type Nerve Agents.

Authors:  Anna Hamstra; Yajie Cai; Zachary Reynolds; Cody S Griffins; Arnold L Rheingold; Nicholas J Schaaf; Ekkehard Sinn; Jefferson E Bates; Aruna J Weerasinghe
Journal:  J Fluoresc       Date:  2022-02-26       Impact factor: 2.217

3.  Electronic π-to-π* Excitations of Rhodamine Dyes Exhibit a Time-Dependent Kohn-Sham Theory "Cyanine Problem".

Authors:  Barry Moore; Robert L Schrader; Karol Kowalski; Jochen Autschbach
Journal:  ChemistryOpen       Date:  2017-05-02       Impact factor: 2.911

4.  The metal cation chelating capacity of astaxanthin. Does this have any influence on antiradical activity?

Authors:  Elizabeth Hernández-Marin; Andrés Barbosa; Ana Martínez
Journal:  Molecules       Date:  2012-01-20       Impact factor: 4.411

5.  First principles study of electronic and nonlinear optical properties of A-D-π-A and D-A-D-π-A configured compounds containing novel quinoline-carbazole derivatives.

Authors:  Muhammad Khalid; Akbar Ali; Rifat Jawaria; Muhammad Adnan Asghar; Sumreen Asim; Muhammad Usman Khan; Riaz Hussain; Muhammad Fayyaz Ur Rehman; Christopher J Ennis; Muhammad Safwan Akram
Journal:  RSC Adv       Date:  2020-06-10       Impact factor: 4.036

6.  Performance of TDDFT Vertical Excitation Energies of Core-Substituted Naphthalene Diimides.

Authors:  Ayush K Narsaria; Julian D Ruijter; Trevor A Hamlin; Andreas W Ehlers; Célia Fonseca Guerra; Koop Lammertsma; F Matthias Bickelhaupt
Journal:  J Comput Chem       Date:  2020-03-06       Impact factor: 3.376
  6 in total

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