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OpenAlex is a bibliographic catalogue of scientific papers, authors and institutions accessible in open access mode, named after the Library of Alexandria. It's citation coverage is excellent and I hope you will find utility in this listing of citing articles!

If you click the article title, you'll navigate to the article, as listed in CrossRef. If you click the Open Access links, you'll navigate to the "best Open Access location". Clicking the citation count will open this listing for that article. Lastly at the bottom of the page, you'll find basic pagination options.

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Showing 1-25 of 93 citing articles:

Software update: The ORCA program system—Version 5.0
Frank Neese
Wiley Interdisciplinary Reviews Computational Molecular Science (2022) Vol. 12, Iss. 5
Open Access | Times Cited: 2431
Revisiting the Performance of Time-Dependent Density Functional Theory for Electronic Excitations: Assessment of 43 Popular and Recently Developed Functionals from Rungs One to Four
Jiashu Liang, Xintian Feng, Diptarka Hait, et al.
Journal of Chemical Theory and Computation (2022) Vol. 18, Iss. 6, pp. 3460-3473
Open Access | Times Cited: 124
Charge-Transfer Excitations within Density Functional Theory: How Accurate Are the Most Recommended Approaches?
Dávid Mester, Mihály Kállay
Journal of Chemical Theory and Computation (2022) Vol. 18, Iss. 3, pp. 1646-1662
Open Access | Times Cited: 78
Origin of the Failure of Density Functional Theories in Predicting Inverted Singlet–Triplet Gaps
Soumen Ghosh, Kalishankar Bhattacharyya
The Journal of Physical Chemistry A (2022) Vol. 126, Iss. 8, pp. 1378-1385
Open Access | Times Cited: 46
Heptazine, Cyclazine, and Related Compounds: Chemically-Accurate Estimates of the Inverted Singlet–Triplet Gap
Pierre‐François Loos, Filippo Lipparini, Denis Jacquemin
The Journal of Physical Chemistry Letters (2023) Vol. 14, Iss. 49, pp. 11069-11075
Open Access | Times Cited: 35
Selecting the Optimal DFT Functionals for Reproducing the UV‐Vis Properties of Transition‐Metal Photocatalysts
Péter Pál Fehér, András Stirling
Chemistry - Methods (2025)
Open Access | Times Cited: 1
Violation of Hund’s rule in molecules: Predicting the excited-state energy inversion by TD-DFT with double-hybrid methods
J. C. Sancho-Garcı́a, Éric Brémond, Gaetano Ricci, et al.
The Journal of Chemical Physics (2021) Vol. 156, Iss. 3
Open Access | Times Cited: 50
A Mountaineering Strategy to Excited States: Revising Reference Values with EOM-CC4
Pierre‐François Loos, Filippo Lipparini, Devin A. Matthews, et al.
Journal of Chemical Theory and Computation (2022) Vol. 18, Iss. 7, pp. 4418-4427
Open Access | Times Cited: 29
Benchmarking Density Functional Theory Methods for Metalloenzyme Reactions: The Introduction of the MME55 Set
Dominique A. Wappett, Lars Goerigk
Journal of Chemical Theory and Computation (2023) Vol. 19, Iss. 22, pp. 8365-8383
Open Access | Times Cited: 21
Double-Hybrid Density Functional Theory for Core Excitations: Theory and Benchmark Calculations
Dávid Mester, Mihály Kállay
Journal of Chemical Theory and Computation (2023) Vol. 19, Iss. 4, pp. 1310-1321
Open Access | Times Cited: 17
Resilience of Hund's rule in the chemical space of small organic molecules
Atreyee Majumdar, Raghunathan Ramakrishnan
Physical Chemistry Chemical Physics (2024) Vol. 26, Iss. 20, pp. 14505-14513
Open Access | Times Cited: 8
Tris-Azo Triangular Paraphenylenes: Synthesis and Reversible Interconversion into Radial π-Conjugated Macrocycles
Tomohito Ide, Wei-Ci Huang, Masaki Horie
Journal of the American Chemical Society (2024) Vol. 146, Iss. 15, pp. 10246-10250
Open Access | Times Cited: 7
An inverted singlet-triplet excited state in a pentaazaphenalene derivative (5AP-N(C12)2)
Yu Kusakabe, Katsuyuki Shizu, Hiroyuki Tanaka, et al.
Applied Physics Express (2024) Vol. 17, Iss. 6, pp. 061001-061001
Open Access | Times Cited: 7
A Mountaineering Strategy to Excited States: Highly Accurate Energies and Benchmarks for Bicyclic Systems
Pierre‐François Loos, Denis Jacquemin
The Journal of Physical Chemistry A (2021) Vol. 125, Iss. 47, pp. 10174-10188
Open Access | Times Cited: 34
Accurate predictions of the electronic excited states of BODIPY based dye sensitizers using spin-component-scaled double-hybrid functionals: a TD-DFT benchmark study
Qabas Alkhatib, Wissam Helal, Ali Marashdeh
RSC Advances (2022) Vol. 12, Iss. 3, pp. 1704-1717
Open Access | Times Cited: 26
Do Double-Hybrid Functionals Benefit from Regularization in the PT2 Term? Observations from an Extensive Benchmark
Golokesh Santra, Jan M. L. Martin
The Journal of Physical Chemistry Letters (2022) Vol. 13, Iss. 15, pp. 3499-3506
Open Access | Times Cited: 26
Benefits of Range-Separated Hybrid and Double-Hybrid Functionals for a Large and Diverse Data Set of Reaction Energies and Barrier Heights
Golokesh Santra, Rivka Calinsky, Jan M. L. Martin
The Journal of Physical Chemistry A (2022) Vol. 126, Iss. 32, pp. 5492-5505
Open Access | Times Cited: 23
Benchmarking DFT-based excited-state methods for intermolecular charge-transfer excitations
Nicola Bogo, Christopher J. Stein
Physical Chemistry Chemical Physics (2024) Vol. 26, Iss. 32, pp. 21575-21588
Open Access | Times Cited: 6
Reference CC3 Excitation Energies for Organic Chromophores: Benchmarking TD-DFT, BSE/GW, and Wave Function Methods
Iryna Knysh, Filippo Lipparini, Aymeric Blondel, et al.
Journal of Chemical Theory and Computation (2024)
Closed Access | Times Cited: 5
Accurate Spectral Properties within Double-Hybrid Density Functional Theory: A Spin-Scaled Range-Separated Second-Order Algebraic-Diagrammatic Construction-Based Approach
Dávid Mester, Mihály Kállay
Journal of Chemical Theory and Computation (2022) Vol. 18, Iss. 2, pp. 865-882
Open Access | Times Cited: 21
Noncovalently bound excited-state dimers: a perspective on current time-dependent density functional theory approaches applied to aromatic excimer models
Amy Hancock, Lars Goerigk
RSC Advances (2022) Vol. 12, Iss. 21, pp. 13014-13034
Open Access | Times Cited: 20
Enantiopure J-Aggregate of Quaterrylene Bisimides for Strong Chiroptical NIR-Response
Bernhard Mahlmeister, Tim Schembri, Vladimir Stepanenko, et al.
Journal of the American Chemical Society (2023) Vol. 145, Iss. 24, pp. 13302-13311
Closed Access | Times Cited: 13
Excitation energies of polycylic aromatic hydrocarbons by double-hybrid functionals: Assessing the PBE0-DH and PBE-QIDH models and their range-separated versions
María Eugenia Sandoval‐Salinas, Éric Brémond, Á. J. Pérez‐Jiménez, et al.
The Journal of Chemical Physics (2023) Vol. 158, Iss. 4
Open Access | Times Cited: 12
Inverse molecular design and parameter optimization with Hückel theory using automatic differentiation
Rodrigo A. Vargas–Hernández, Kjell Jorner, Robert Pollice, et al.
The Journal of Chemical Physics (2023) Vol. 158, Iss. 10
Open Access | Times Cited: 12
Noncovalently bound excited-state dimers: a perspective on current time-dependent density functional theory approaches applied to aromatic excimer models
Amy Hancock, Lars Goerigk
RSC Advances (2023) Vol. 13, Iss. 51, pp. 35964-35984
Open Access | Times Cited: 12
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