Ghent University Academic Bibliography

Your filters: cql: author="Broer, Ria" or (type any "bookEditor issueEditor" and editor="Broer, Ria")

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- Journal Article
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- open access
Strategies for enhancing the dielectric constant of organic materials

Selim Sami, Riccardo Alessandri, Jeff B. W. Wijaya, Fabian Grünewald, Alex H. de Vries, Siewert J. Marrink, Ria Broer and Remco Havenith (UGent)

(2022) JOURNAL OF PHYSICAL CHEMISTRY C. 126(45). p.19462-19469
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- Miscellaneous
Memorial viewpoint for Joop van Lenthe

Gabriel G. Balint-Kurti, Ria Broer, Peter H. M. Budzelaar, Hubertus J. J. van Dam, Fokke Dijkstra, Henk Eshuis, Gerrit C. Groenenboom, Martyn F. Guest, Remco Havenith (UGent) , Anthony J. H. M. Meijer, et al.

(2022) JOURNAL OF PHYSICAL CHEMISTRY A. 126(41). p.7415-7417
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Q-Force : quantum mechanically augmented molecular force fields

Selim Sami, Maximilian F. S. J. Menger, Shirin Faraji, Ria Broer and Remco Havenith (UGent)

(2021) JOURNAL OF CHEMICAL THEORY AND COMPUTATION. 17(8). p.4946-4960
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- Journal Article
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Reduced common molecular orbital basis for nonorthogonal configuration interaction

R. K. Kathir, Coen de Graaf, Ria Broer and Remco Havenith (UGent)

(2020) JOURNAL OF CHEMICAL THEORY AND COMPUTATION. 16(5). p.2941-2951
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How ethylene glycol chains enhance the dielectric constant of organic semiconductors : molecular origin and frequency dependence

Selim Sami, Riccardo Alessandri, Ria Broer and Remco Havenith (UGent)

(2020) ACS APPLIED MATERIALS & INTERFACES. 12(15). p.17795-17801
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- Journal Article
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Orbital decomposition of the carbon chemical shielding tensor in gold(I) N-heterocyclic carbene complexes

Maria A. Izquierdo, Francesco Tarantelli, Ria Broer, Giovanni Bistoni, Leonardo Belpassi and Remco Havenith (UGent)

(2020) EUROPEAN JOURNAL OF INORGANIC CHEMISTRY. 2020(13). p.1177-1183
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Singlet fission rate : optimized packing of a molecular pair : ethylene as a model

Alexandr Zaykov, Petr Felkel, Eric A. Buchanan, Milena Jovanovic, Remco Havenith (UGent) , R. K. Kathir, Ria Broer, Zdenek Havlas and Josef Michl

(2019) JOURNAL OF THE AMERICAN CHEMICAL SOCIETY. 141(44). p.17729-17743
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Can the dielectric constant of fullerene derivatives be enhanced by side-chain manipulation? : a predictive first-principles computational study

Selim Sami, Pi A. B. Haase, Riccardo Alessandri, Ria Broer and Remco Havenith (UGent)

(2018) JOURNAL OF PHYSICAL CHEMISTRY A. 122(15). p.3919-3926
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The magnetic fingerprint of dithiazolyl-based molecule magnets

Tommaso Francese, Jordi Ribas-Arino, Juan J. Novoa, Remco Havenith (UGent) , Ria Broer, Coen de Graaf and Merce Deumal

(2018) PHYSICAL CHEMISTRY CHEMICAL PHYSICS. 20(31). p.20406-20416
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A rigorous nonorthogonal configuration interaction approach for the calculation of electronic couplings between diabatic states applied to singlet fission

Meilani Wibowo, Ria Broer and Remco Havenith (UGent)

(2017) COMPUTATIONAL AND THEORETICAL CHEMISTRY. 1116. p.190-194

Academic Bibliography

Strategies for enhancing the dielectric constant of organic materials

Memorial viewpoint for Joop van Lenthe

Q-Force : quantum mechanically augmented molecular force fields

Reduced common molecular orbital basis for nonorthogonal configuration interaction

How ethylene glycol chains enhance the dielectric constant of organic semiconductors : molecular origin and frequency dependence

Orbital decomposition of the carbon chemical shielding tensor in gold(I) N-heterocyclic carbene complexes

Singlet fission rate : optimized packing of a molecular pair : ethylene as a model

Can the dielectric constant of fullerene derivatives be enhanced by side-chain manipulation? : a predictive first-principles computational study

The magnetic fingerprint of dithiazolyl-based molecule magnets

A rigorous nonorthogonal configuration interaction approach for the calculation of electronic couplings between diabatic states applied to singlet fission

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