Edith BOTEK

  • 3448 Citations
  • 34 h-Index
1985 …2018

Research output per year

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Research Output

  • 3448 Citations
  • 34 h-Index
  • 106 Article
  • 6 Conference contribution
  • 1 Paper
2018

ONIOM Investigation of the Second-Order Nonlinear Optical Responses of Fluorescent Proteins

De Wergifosse, M., Botek, E., De Meulenaere, E., Clays, K. & Champagne, B., 17 May 2018, In : Journal of physical chemistry A. 122, 19, p. 4993-5005 13 p.

Research output: Contribution to journalArticle

2015

Approximate spin projected spin-unrestricted density functional theory method: Application to diradical character dependences of second hyperpolarizabilities

Nakano, M., Minami, T., Fukui, H., Yoneda, K., Shigeta, Y., Kishi, R., Champagne, B. & Botek, E., 1 Jan 2015, Proceedings of the International Conference of Computational Methods in Sciences and Engineering 2010, ICCMSE 2010. Simos, T. E., Simos, T. E., Maroulis, G., Simos, T. E. & Simos, T. E. (eds.). American institute of physics, p. 30-34 5 p. 4906627. (AIP Conference Proceedings; vol. 1642).

Research output: Contribution in Book/Catalog/Report/Conference proceedingConference contribution

Prediction of first hyperpolarizability of fluorescent proteins

De Meulenaere, E., de Wergifosse, M., Botek, E., Vanderleyden, J., Champagne, B. & Clays, K., 2015, In : AIP Conference Proceedings. 1642, p. 522

Research output: Contribution to journalArticle

Relationship between second hyperpolarizability and diradical character in open-shell singlet metal-metal multiply bonded systems

Fukui, H., Botek, E., Champagne, B., Shigeta, Y. & Nakano, M., 1 Jan 2015, Proceedings of the International Conference of Computational Methods in Sciences and Engineering 2010, ICCMSE 2010. Simos, T. E., Simos, T. E., Maroulis, G., Simos, T. E. & Simos, T. E. (eds.). American institute of physics, p. 245-248 4 p. 4906663. (AIP Conference Proceedings; vol. 1642).

Research output: Contribution in Book/Catalog/Report/Conference proceedingConference contribution

Static electric field effect on third-order nonlinear optical (NLO) properties of singlet diradical molecules: Toward the realization of an electric field induced open-shell NLO switch

Nakano, M., Minami, T., Fukui, H., Yoneda, K., Shigeta, Y., Champagne, B., Botek, E., Ohta, K., Kamada, K. & Kubo, T., 1 Jan 2015, Proceedings of the International Conference of Computational Methods in Sciences and Engineering 2010, ICCMSE 2010. Simos, T. E., Simos, T. E., Maroulis, G., Simos, T. E. & Simos, T. E. (eds.). American institute of physics, p. 477-480 4 p. 4906724. (AIP Conference Proceedings; vol. 1642).

Research output: Contribution in Book/Catalog/Report/Conference proceedingConference contribution

2013

In situ nitroxide-mediated polymerization of styrene promoted by the N-tert-butyl-α-isopropylnitrone/bpo pair: ESR investigations

Detrembleur, C., Clément, J-L., Sciannaméa, V., Jérôme, C., Catala, J-M., Gigmes, D., Autissier, L., Botek, E., Zarycz, N. & Champagne, B., 15 Apr 2013, In : Journal of Polymer Science, Part A: Polymer Chemistry. 51, 8, p. 1786-1795 10 p.

Research output: Contribution to journalArticle

2012

Combined experimental-theoretical NMR study on 2,5-bis(5-aryl-3- hexylthiophen-2-yl)-thiazolo[5,4-d]thiazole derivatives for printable electronics

Van Mierloo, S., Liégeois, V., Kudrjasova, J., Botek, E., Lutsen, L., Champagne, B., Vanderzande, D., Adriaensens, P. & Maes, W., 1 May 2012, In : Magnetic Resonance in Chemistry. 50, 5, p. 379-387 9 p.

Research output: Contribution to journalArticle

Electron donor solvent effects on the (hyper) polarizabilities of a solute presenting singlet diradical character

Takahashi, H., Kubota, K., Fukui, H., Bonness, S., Yoneda, K., Kishi, R., Kubo, T., Kamada, K., Ohta, K., Champagne, B., Botek, E. & Nakano, M., 1 Jan 2012, In : AIP Conference Proceedings. 1504, p. 899-902 4 p.

Research output: Contribution to journalArticle

1 Downloads (Pure)

Electron spin resonance spectra of nitroxyl radicals

Botek, E., Zarycz, N., Champagne, B., Sciannaméa, V. & Detrembleur, C., 1 Jan 2012, In : AIP Conference Proceedings. 1504, p. 841-843 3 p.

Research output: Contribution to journalArticle

2 Downloads (Pure)

Functionalized dithienylthiazolo[5, 4-d]thiazoles for solution-processable organic field-effect transistors

Van Mierloo, S., Vasseur, K., Van Den Brande, N., Boyukbayram, A. E., Ruttens, B., Rodriguez, S. D., Botek, E., Liégeois, V., D'Haen, J., Adriaensens, P. J., Heremans, P., Champagne, B., Van Assche, G., Lutsen, L., Vanderzande, D. J. & Maes, W., 1 Oct 2012, In : ChemPlusChem. 77, 10, p. 923-930 8 p.

Research output: Contribution to journalArticle

Linear and nonlinear second order susceptibilities of molecular crystals

Botek, E., Champagne, B., Olejniczak, M. & Pecul, M., 1 Jan 2012, In : AIP Conference Proceedings. 1504, p. 631-634 4 p.

Research output: Contribution to journalArticle

Long-range-corrected UDFT study on second hyperpolarizabilities of open-shell singlet systems

Kishi, R., Bonness, S., Yoneda, K., Kubo, T., Kamada, K., Ohta, K., Champagne, B., Botek, E., Tsuneda, T. & Nakano, M., 1 Jan 2012, In : AIP Conference Proceedings. 1504, p. 651-654 4 p.

Research output: Contribution to journalArticle

One- and two-photon absorptions in open-shell singlet systems

Nakano, M., Yoneda, K., Kishi, R., Takahashi, H., Kubo, T., Kamada, K., Ohta, K., Champagne, B. & Botek, E., 1 Jan 2012, In : AIP Conference Proceedings. 1504, p. 136-143 7 p.

Research output: Contribution to journalArticle

Second hyperpolarizabilities of singlet diradical compounds and their radical ions

Fukui, H., Yoneda, K., Botek, E., Champagne, B. & Nakano, M., 1 Jan 2012, In : AIP Conference Proceedings. 1504, p. 852-855 4 p.

Research output: Contribution to journalArticle

4 Downloads (Pure)

Second-order nonlinear optical responses of flexible pyridine-pyrimidine foldamers

Castet, F., Méreau, R., Botek, E. & Champagne, B., 1 Jan 2012, In : AIP Conference Proceedings. 1504, p. 559-563 5 p.

Research output: Contribution to journalArticle

2 Downloads (Pure)

Spin polarization and third-order nonlinear optical properties of open-shell singlet graphene nanoflakes

Nakano, M., Yoneda, K., Nagai, H., Kubo, T., Kamada, K., Ohta, K., Champagne, B. & Botek, E., 1 Jan 2012, In : AIP Conference Proceedings. 1504, p. 392-398 7 p.

Research output: Contribution to journalArticle

1 Downloads (Pure)

Theoretical aspects on the evaluation and interpretation of the third-order nonlinear optical properties of diradical compounds

Champagne, B., Botek, E., Shimizu, A., Kubo, T., Kamada, K., Ohta, K., Kishi, R., Fukui, H., Takahashi, H. & Nakano, M., 1 Jan 2012, In : AIP Conference Proceedings. 1504, p. 844-847 4 p.

Research output: Contribution to journalArticle

Theoretical consideration of singlet open-shell character of polyperiacenes using Clar's aromatic sextet valence bond model and quantum chemical calculations

Shimizu, A., Hirao, Y., Kubo, T., Nakano, M., Botek, E. & Champagne, B., 1 Jan 2012, AIP Conference Proceedings. Vol. 1504. p. 399-405 7 p.

Research output: Contribution in Book/Catalog/Report/Conference proceedingConference contribution

5 Downloads (Pure)
2011

(Hyper)polarizability density analysis for open-shell molecular systems based on natural orbitals and occupation numbers

Nakano, M., Fukui, H., Minami, T., Yoneda, K., Shigeta, Y., Kishi, R., Champagne, B., Botek, E., Kubo, T., Ohta, K. & Kamada, K., 1 Dec 2011, In : Theoretical Chemistry Accounts. 130, 4-6, p. 711-724 14 p.

Research output: Contribution to journalArticle

Amylose-vanillin complexation assessed by a joint experimental and theoretical analysis

Rodríguez, S. D., Bernik, D. L., Méreau, R., Castet, F., Champagne, B. & Botek, E., 1 Dec 2011, In : Journal of Physical Chemistry C. 115, 47, p. 23315-23322 8 p.

Research output: Contribution to journalArticle

Enhancement of second hyperpolarizabilities in open-shell singlet slipped-stack dimers composed of square planar nickel complexes involving o-semiquinonato type ligands

Fukui, H., Shigeta, Y., Nakano, M., Kubo, T., Kamada, K., Ohta, K., Champagne, B. & Botek, E., 17 Feb 2011, In : Journal of physical chemistry A. 115, 6, p. 1117-1124 8 p.

Research output: Contribution to journalArticle

Erratum to: (Hyper)polarizability density analysis for open-shell molecular systems based on natural orbitals and occupation numbers (Theor Chem Acc, DOI 10.1007/s00214-010-0871-y)

Nakano, M., Fukui, H., Minami, T., Yoneda, K., Shigeta, Y., Kishi, R., Champagne, B., Botek, E., Kubo, T., Ohta, K. & Kamada, K., 1 Dec 2011, In : Theoretical Chemistry Accounts. 130, 4-6, p. 725-726 2 p.

Research output: Contribution to journalArticle

Fingerprints for structural defects in poly(thienylene vinylene) (PTV): A joint theoretical-experimental nmr study on model molecules

Diliën, H., Marin, L., Botek, E., Champagne, B., Lemaur, V., Beljonne, D., Lazzaroni, R., Cleij, T. J., Maes, W., Lutsen, L., Vanderzande, D. & Adriaensens, P. J., 27 Oct 2011, In : Journal of physical chemistry B. 115, 42, p. 12040-12050 11 p.

Research output: Contribution to journalArticle

From molecular to macroscopic engineering: Shaping hydrogen-bonded organic nanomaterials

Yoosaf, K., Llanes-Pallas, A., Marangoni, T., Belbakra, A., Marega, R., Botek, E., Champagne, B., Bonifazi, D. & Armaroli, N., 7 Mar 2011, In : Chemistry: A European Journal. 17, 11, p. 3262-3273 12 p.

Research output: Contribution to journalArticle

Open Access

Open-shell characters and second hyperpolarizabilities of one-dimensional graphene nanoflakes composed of trigonal graphene units

Yoneda, K., Nakano, M., Fukui, H., Minami, T., Shigeta, Y., Kubo, T., Botek, E. & Champagne, B., 20 Jun 2011, In : ChemPhysChem. 12, 9, p. 1697-1707 11 p.

Research output: Contribution to journalArticle

2010

A joint theoretical and experimental investigation on the 13C and 1H NMR chemical shifts of coumarin derivatives

d'Antuono, P., Botek, E., Champagne, B., Maton, L., Taziaux, D. & Habib-Jiwan, J. L., 1 Mar 2010, In : Theoretical Chemistry Accounts. 125, 3-6, p. 461-470 10 p.

Research output: Contribution to journalArticle

Approximate spin-projected spin-unrestricted density functional theory method: Application to the diradical character dependences of the (hyper)polarizabilities in p-quinodimethane models

Nakano, M., Minami, T., Fukui, H., Yoneda, K., Shigeta, Y., Kishi, R., Champagne, B. & Botek, E., 6 Dec 2010, In : Chemical Physics Letters. 501, 1-3, p. 140-145 6 p.

Research output: Contribution to journalArticle

A three-step synthetic approach to asymmetrically functionalized 4H-cyclopenta[2,1-b3,4-b′]dithiophenes

Van Mierloo, S., Adriaensens, P. J., Maes, W., Lutsen, L., Cleij, T. J., Botek, E., Champagne, B. & Vanderzande, D. J., 5 Nov 2010, In : Journal of Organic Chemistry. 75, 21, p. 7202-7209 8 p.

Research output: Contribution to journalArticle

Giant electric field effect on the second hyperpolarizability of symmetric singlet diradical molecules

Nakano, M., Champagne, B., Botek, E., Ohta, K., Kamada, K. & Kubo, T., 21 Oct 2010, In : The journal of chemical physics. 133, 15, 154302.

Research output: Contribution to journalArticle

Long-range corrected density functional theory study on static second hyperpolarizabilities of singlet diradical systems

Kishi, R., Bonness, S., Yoneda, K., Takahashi, H., Nakano, M., Botek, E., Champagne, B., Kubo, T., Kamada, K., Ohta, K. & Tsuneda, T., 19 Mar 2010, In : The journal of chemical physics. 132, 9, 094107.

Research output: Contribution to journalArticle

Nonlinear optical properties of mStrawberry and mCherry for second harmonic imaging

De Meulenaere, E., de Wergifosse, M., Botek, E., Spaepen, S., Champagne, B., Vanderleyden, J. & Clays, K., 2010, In : Journal of Nonlinear Optical Physics and Materials. 19, 1, p. 1-13 13 p.

Research output: Contribution to journalArticle

Prediction of First Hyperpolarizability of Fluorescent Proteins

De Meulenaere, E., de Wergifosse, M., Botek, E., Vanderleyden, J., Champagne, B. & Clays, K., 2010.

Research output: Contribution to conferencePaper

Signature of multiradical character in second hyperpolarizabilities of rectangular graphene nanoflakes

Nagai, H., Nakano, M., Yoneda, K., Kishi, R., Takahashi, H., Shimizu, A., Kubo, T., Kamada, K., Ohta, K., Botek, E. & Champagne, B., 9 Apr 2010, In : Chemical Physics Letters. 489, 4-6, p. 212-218 7 p.

Research output: Contribution to journalArticle

Singlet diradical character from experiment

Kamada, K., Ohta, K., Shimizu, A., Kubo, T., Kishi, R., Takahashi, H., Botek, E., Champagne, B. & Nakano, M., 18 Mar 2010, In : Journal of Physical Chemistry Letters. 1, 6, p. 937-940 4 p.

Research output: Contribution to journalArticle

Synthesis and characterization of teranthene: A singlet biradical polycyclic aromatic hydrocarbon having kekulé structures

Konishi, A., Hirao, Y., Nakano, M., Shimizu, A., Botek, E., Champagne, B., Shiomi, D., Sato, K., Takui, T., Matsumoto, K., Kurata, H. & Kubo, T., 18 Aug 2010, In : Journal of the American Chemical Society. 132, 32, p. 11021-11023 3 p.

Research output: Contribution to journalArticle

Theoretical and experimental investigation of the structural and spectroscopic properties of coumarin 343 fluoroionophores

Botek, E., D'Antuono, P., Jacques, A., Carion, R., Champagne, B., Maton, L., Taziaux, D. & Habib-Jiwan, J. L., 14 Nov 2010, In : Physical Chemistry Chemical Physics. 12, 42, p. 14172-14187 16 p.

Research output: Contribution to journalArticle

2009

Effect of the dynamical disorder on the second-order nonlinear optical responses of helicity-encoded polymer strands

Méreau, R., Castet, F., Botek, E. & Champagne, B., 18 Jun 2009, In : Journal of physical chemistry A. 113, 24, p. 6552-6554 3 p.

Research output: Contribution to journalArticle

Electron donor solvent effects on the (hyper)polarizabilities of a singlet diradical molecule involving a boron atom

Kubota, K., Takahashi, H., Fukui, H., Bonness, S., Yoneda, K., Kishi, R., Kubo, T., Kamada, K., Ohta, K., Champagne, B., Botek, E. & Nakano, M., 6 Aug 2009, In : Chemical Physics Letters. 477, 4-6, p. 309-314 6 p.

Research output: Contribution to journalArticle

Erratum to 'Electron donor solvent effects on the (hyepr)polarizabilities of a singlet diradical molecule involving a boron atom': [Chem. Phys. Lett. 477 (2009) 309] (DOI 10.1016/j.cplett.2009.07.022)

Kubota, K., Takahashi, H., Fukui, H., Bonness, S., Yoneda, K., Kishi, R., Kubo, T., Kamada, K., Ohta, K., Champagne, B., Botek, E. & Nakano, M., 7 Sep 2009, In : Chemical Physics Letters. 479, 1-3

Research output: Contribution to journalArticle

Nonlinear and Chiro-Optical Properties of Aromatic Foldamers

Botek, E., Champagne, B., Méreau, R. & Castet, F., 2009, In : Journal of computational methods in sciences and engineering. 2, p. 351-353 3 p.

Research output: Contribution to journalArticle

Remarkable two-photon absorption in open-shell singlet systems

Nakano, M., Yoneda, K., Kishi, R., Takahashi, H., Kubo, T., Kamada, K., Ohta, K., Botek, E. & Champagne, B., 1 Dec 2009, In : The journal of chemical physics. 131, 11, 114316.

Research output: Contribution to journalArticle

Second-order nonlinear optical properties of fluorescent proteins for second-harmonic imaging

De Meulenaere, E., Asselberghs, I., De Wergifosse, M., Botek, E., Spaepen, S., Champagne, B., Vanderleyden, J. & Clays, K., 28 Oct 2009, In : Journal of Materials Chemistry. 19, 40, p. 7514-7519 6 p.

Research output: Contribution to journalArticle

Theoretical study on third-order nonlinear optical properties in hexagonal graphene nanoflakes: Edge shape effect

Nagai, H., Nakano, M., Yoneda, K., Fukui, H., Minami, T., Bonness, S., Kishi, R., Takahashi, H., Kubo, T., Kamada, K., Ohta, K., Champagne, B. & Botek, E., 6 Aug 2009, In : Chemical Physics Letters. 477, 4-6, p. 355-359 5 p.

Research output: Contribution to journalArticle

Third-order nonlinear optical properties of open-shell systems: Diradical character and spin state dependences

Nakano, M., Fukui, H., Nagai, H., Minami, T., Kishi, R., Takahashi, H., Kubo, T., Kamada, K., Ohta, K., Champagne, B. & Botek, E., 1 Jan 2009, In : AIP Conference Proceedings. 1108, p. 43-53 11 p.

Research output: Contribution to journalArticle

Third-order nonlinear optical properties of trigonal, rhombic and bow-tie graphene nanoflakes with strong structural dependence of diradical character

Yoneda, K., Nakano, M., Kishi, R., Takahashi, H., Shimizu, A., Kubo, T., Kamada, K., Ohta, K., Champagne, B. & Botek, E., 8 Oct 2009, In : Chemical Physics Letters. 480, 4-6, p. 278-283 6 p.

Research output: Contribution to journalArticle

2008

A joined theoretical-experimental investigation on the1H and13C NMR signatures of defects in poly(vinyl chloride)

D'Antuono, P., Botek, E., Champagne, B., Wieme, J., Reyniers, M. F., Marin, G. B., Adriaensens, P. J. & Gelan, J. M., 27 Nov 2008, In : Journal of physical chemistry B. 112, 47, p. 14804-14818 15 p.

Research output: Contribution to journalArticle

Evaluation of the molecular polarizability using the IPPP-CLOPPA-INDO/S method. Application to molecules of biological interest.

Botek, E., GIRIBET, C., RUIZ DE AZUA, M., BERNIK, D. & NEGRI, M., 2008, In : J. Phys. Chem. A.. 112, p. 6992-6998 7 p.

Research output: Contribution to journalArticle