Edith BOTEK

  • 3464 Citations
  • 34 h-Index
1985 …2018

Research output per year

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Research Output

  • 3464 Citations
  • 34 h-Index
  • 106 Article
  • 6 Conference contribution
  • 1 Paper
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Article

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

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

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

Origin of the enhancement of the second hyperpolarizability of singlet diradical systems with intermediate diradical character

Nakano, M., Kishi, R., Ohta, S., Takebe, A., Takahashi, H., Furukawa, S. I., Kubo, T., Morita, Y., Nakasuji, K., Yamaguchi, K., Kamada, K., Ohta, K., Champagne, B. & Botek, E., 28 Aug 2006, In : The journal of chemical physics. 125, 7, 074113.

Research output: Contribution to journalArticle

Polarizability and second hyperpolarizability of open-shell π-conjugated compounds from spin projection method calculations

Champagne, B., Botek, E., Quinet, O., Nakano, M., Kishi, R., Nitta, T. & Yamaguchi, K., 27 May 2005, In : Chemical Physics Letters. 407, 4-6, p. 372-378 7 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., 2015, In : AIP Conference Proceedings. 1642, p. 522

Research output: Contribution to journalArticle

Relationship between third-order nonlinear optical properties and magnetic interactions in open-shell systems: A new paradigm for nonlinear optics

Nakano, M., Kishi, R., Ohta, S., Takahashi, H., Kubo, T., Kamada, K., Ohta, K., Botek, E. & Champagne, B., 20 Jul 2007, In : Physical review letters. 99, 3, 033001.

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

RPA AM1 Calculations of NMR spin-spin coupling constants. Geminal 119Sn-119Sn couplings.

Aucar, GA., Botek, E., Gomez, SB., Sproviero, E. & Contreras, RH., 1996, In : J. Organomet. Chem.. 524

Research output: Contribution to journalArticle

Second-harmonic generation in GFP-like proteins

Asselberghs, I., Flors, C., Ferrighi, L., Botek, E., Champagne, B., Mizuno, H., Ando, R., Miyawaki, A., Hofkens, J., Van Der Auweraer, M. & Clays, K., 19 Nov 2008, In : Journal of the American Chemical Society. 130, 46, p. 15713-15719 7 p.

Research output: Contribution to journalArticle

Second hyperpolarizabilities (γ) of bisimidazole and bistriazole benzenes: Diradical character, charged state, and spin state dependences

Nakano, M., Kishi, R., Nakagawa, N., Ohta, S., Takahashi, H., Furukawa, S. I., Kamada, K., Ohta, K., Champagne, B., Botek, E., Yamada, S. & Yamaguchi, K., 30 Mar 2006, In : Journal of physical chemistry A. 110, 12, p. 4238-4243 6 p.

Research output: Contribution to journalArticle

Second hyperpolarizabilities (γ) of open-shell singlet one-dimensional systems: Intersite interaction effects on the average diradical character and size dependences of γ

Nakano, M., Takebe, A., Kishi, R., Ohta, S., Nate, M., Kubo, T., Kamada, K., Ohta, K., Champagne, B., Botek, E., Takahashi, H., Furukawa, S., Morita, Y. & Nakasuji, K., 11 Dec 2006, In : Chemical Physics Letters. 432, 4-6, p. 473-479 7 p.

Research output: Contribution to journalArticle

Second hyperpolarizabilities of polycyclic diphenalenyl radicals: Effects of para/ortho-quinoid structures and central ring modification

Nakano, M., Nakagawa, N., Ohta, S., Kishi, R., Kubo, T., Kamada, K., Ohta, K., Champagne, B., Botek, E., Takahashi, H., Furukawa, S. I., Morita, Y., Nakasuji, K. & Yamaguchi, K., 29 Sep 2006, In : Chemical Physics Letters. 429, 1-3, p. 174-179 6 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 hyperpolarizabilities of singlet polycyclic diphenalenyl radicals: Effects of the nature of the central heterocyclic ring and substitution to diphenalenyl rings

Nakano, M., Nakagawa, N., Kishi, R., Ohta, S., Nate, M., Takahashi, H., Kubo, T., Kamada, K., Ohta, K., Champagne, B., Botek, E., Morita, Y., Nakasuji, K. & Yamaguchi, K., 20 Sep 2007, In : Journal of physical chemistry A. 111, 37, p. 9102-9110 9 p.

Research output: Contribution to journalArticle

Second hyperpolarizability (γ) of singlet diradical system: Dependence of γ on the diradical character

Nakano, M., Kishi, R., Nitta, T., Kubo, T., Nakasuji, K., Kamada, K., Ohta, K., Champagne, B., Botek, E. & Yamaguchi, K., 10 Feb 2005, In : Journal of physical chemistry A. 109, 5, p. 885-891 7 p.

Research output: Contribution to journalArticle

Second hyperpolarizability of phenalenyl radical system involving acetylene π-conjugated bridge

Ohta, S., Nakano, M., Kubo, T., Kamada, K., Ohta, K., Kishi, R., Nakagawa, N., Champagne, B., Botek, E., Umezaki, S. Y., Takebe, A., Takahashi, H., Furukawa, S. I., Morita, Y., Nakasuji, K. & Yamaguchi, K., 21 Mar 2006, In : Chemical Physics Letters. 420, 4-6, p. 432-437 6 p.

Research output: Contribution to journalArticle

Second hyperpolarizability of zethrenes.

Nakano, M., Kishi, R., Takebe, A., Nate, M., Takahashi, H., Kubo, T., Kamada, K., Ohta, K., Champagne, B. & Botek, E., 2007, In : CoLe. 3, 2-4, p. 333-338 6 p.

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

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)

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

Spin multiplicity effects on the second hyperpolarizability of an open-shell neutral π-conjugated system

Nakano, M., Nitta, T., Yamaguchi, K., Champagne, B. & Botek, E., 6 May 2004, In : Journal of physical chemistry A. 108, 18, p. 4105-4111 7 p.

Research output: Contribution to journalArticle

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)

Spin state dependence of second hyperpolarizabilities of diradical molecules

Kishi, R., Nakano, M., Nakagawa, N., Nitta, T., Kamada, K., Ohta, K., Champagne, B., Botek, E. & Yamaguchi, K., 19 Dec 2005, In : Nonlinear Optics Quantum Optics. 34, 1-4 SPEC. ISS., p. 33-36 4 p.

Research output: Contribution to journalArticle

Study of the attachment of Na+ on glucose and on some of its methylated derivatives.

Antonopoulos, A., Bonnet, P., Botek, E., Debrun, J. L., Hakim, P., Herbreteau, B. & Morin-Allory, L., 2003, In : Rapid Comm. Mass Spectrom.. 17

Research output: Contribution to journalArticle

Substituent effects on the electronic structure and pKa benzoic acid

Guillaume, M., Botek, E., Champagne, B., Castet, F. & Ducasse, L., 15 Nov 2002, In : International Journal of Quantum Chemistry. 90, 4-5, p. 1396-1403 8 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

The C3-Ma Bond contribution to the polarizability tensor and the 3J(C1Ma) NMR coupling constants in 1-X-3-M-bicyclo[1.1.1]pentanes.

Giribet, CG., Ruiz de Azua, MC., Gomez, SB., Botek, E., Contreras, RH., Adcock, W., Della, EW., Krstic, AR. & Lochert, IJ., 1998, In : J. Comp. Chem.. 19

Research output: Contribution to journalArticle

Theoretical and experimental investigation of electric field induced second harmonic generation in tetrathia[7]helicenes

Bossi, A., Licandro, E., Maiorana, S., Rigamonti, C., Righetto, S., Richard Stephenson, G., Spassova, M., Botek, E. & Champagne, B., 29 May 2008, In : Journal of Physical Chemistry C. 112, 21, p. 7900-7907 8 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

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 design of substituted tetrathia-[7]-helicenes with large second-order nonlinear optical responses

Champagne, B., André, J-M., Botek, E., Licandro, E., Maiorana, S., Bossi, A., Clays, K. & Persoons, A., 20 Sep 2004, In : ChemPhysChem. 5, 9, p. 1438-1442 5 p.

Research output: Contribution to journalArticle

Theoretical evaluation of the Faraday effect in organic compounds.

Botek, E., Champagne, B., Gangopadhyay, P., Persoons, A. & Verbiest, T., 2007, In : CoLe. 3, 2-4, p. 193-200 8 p.

Research output: Contribution to journalArticle

Theoretical investigation of the chain length effects on the NMR chemical shifts of oligomers

D'Antuono, P., Botek, E. & Champagne, B., 1 Dec 2006, In : International Journal of Quantum Chemistry. 106, 15, p. 3113-3121 9 p.

Research output: Contribution to journalArticle

Theoretical investigation of the linear and second-order nonlinear susceptibilities of the 3-methyl-4-nitropyridine-1-oxyde (POM) crystal

Guillaume, M., Botek, E., Champagne, B., Castet, F. & Ducasse, L., 15 Oct 2004, In : The journal of chemical physics. 121, 15, p. 7390-7400 11 p.

Research output: Contribution to journalArticle

Theoretical investigation of the second-order nonlinear optical properties of helical pyridine-pyrimidine oligomers

Botek, E., Castet, F. & Champagne, B., 24 Nov 2006, In : Chemistry: A European Journal. 12, 34, p. 8687-8695 9 p.

Research output: Contribution to journalArticle

Theoretical investigation on 1H and 13C NMR chemical shifts of small alkanes and chloroalkanes

D'Antuono, P., Botek, E., Champagne, B., Spassova, M. & Denkova, P., 20 Oct 2006, In : The journal of chemical physics. 125, 14, 144309.

Research output: Contribution to journalArticle

Theoretical investigation on bridged triarylamine helicenes: UV/visible and circular dichroism spectra: V/visible and circular dichroism spectra

Spassova, M., Asselberghs, I., Verbiest, T., Clays, K., Botek, E. & Champagne, B., 4 May 2007, In : Chemical Physics Letters. 439, 1-3, p. 213-218 6 p.

Research output: Contribution to journalArticle

Theoretical investigation on the linear and nonlinear susceptibilities of urea crystal

Olejniczak, M., Pecul, M., Champagne, B. & Botek, E., 7 Jul 2008, In : The journal of chemical physics. 128, 24, 244713.

Research output: Contribution to journalArticle

Theoretical study of the second-order nonlinear optical properties of [N]helicenes and [N]phenylenes

Botek, E., Champagne, B., Turki, M. & Andre, J-M., 22 Jan 2004, In : The journal of chemical physics. 120, 4, p. 2042-2048 7 p.

Research output: Contribution to journalArticle

Theoretical study of third-order nonlinear optical properties in square nanographenes with open-shell singlet ground states

Nakano, M., Nagai, H., Fukui, H., Yoneda, K., Kishi, R., Takahashi, H., Shimizu, A., Kubo, T., Kamada, K., Ohta, K., Champagne, B. & Botek, E., 15 Dec 2008, In : Chemical Physics Letters. 467, 1-3, p. 120-125 6 p.

Research output: Contribution to journalArticle

Theoretical study on open-shell nonlinear optical systems

Nakano, M., Kishi, R., Nakagawa, N., Nitta, T., Kubo, T., Nakasuji, K., Kamada, K., Ohta, K., Champagne, B., Botek, E., Yamada, S. & Yamaguchi, K., 25 Aug 2005, In : Materials Research Society Symposium Proceedings. 846, p. 13-24 12 p., DD1.4.

Research output: Contribution to journalArticle

Theoretical study on second hyperpolarizabilities of diradical systems

Nakano, M., Kishi, R., Nakagawa, N., Nitta, T., Kubo, T., Nakasuji, K., Kamada, K., Ohta, K., Champagne, B., Botek, E. & Yamaguchi, K., 19 Dec 2005, In : Nonlinear Optics Quantum Optics. 34, 1-4 SPEC. ISS., p. 29-32 4 p.

Research output: Contribution to journalArticle

Theoretical study on second hyperpolarizabilities of singlet diradical square planar nickel complexes involving o-semiquinonato type ligands

Fukui, H., Kishi, R., Minami, T., Nagai, H., Takahashi, H., Kubo, T., Kamada, K., Ohta, K., Champagne, B., Botek, E. & Nakano, M., 11 Sep 2008, In : Journal of physical chemistry A. 112, 36, p. 8423-8429 7 p.

Research output: Contribution to journalArticle

Theoretical study on the second hyperpolarizabilities of diphenalenyl radical systems

Nakano, M., Kubo, T., Kamada, K., Ohta, K., Champagne, B., Botek, E. & Yamaguchi, K., 2006, In : Lecture series on computer and comptational sciences. 6, p. 231-240 10 p.

Research output: Contribution to journalArticle