Edith Botek

  • 3377 Citations
  • 34 h-Index
1985 …2018
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  • 24 Similar Profiles
Density functional theory Chemical Compounds
density functional theory Physics & Astronomy
Optical properties Chemical Compounds
optical properties Physics & Astronomy
Molecules Chemical Compounds
Chemical shift Chemical Compounds
molecules Physics & Astronomy
Graphite Chemical Compounds

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Projects 1985 2017

Research Output 1996 2018

  • 3377 Citations
  • 34 h-Index
  • 106 Article
  • 6 Conference contribution
  • 1 Paper

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

proteins
Proteins
Chromophores
chromophores
Electron correlations

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

density functional theory
projection
functionals
occupation
broken symmetry

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

metal shells
orbitals
metals
molecular orbitals
optical properties

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

switches
optical properties
electric fields
configuration interaction
molecules

Activities 2000 2007

  • 8 Participation in conference
  • 4 Participation in workshop, seminar, course

Chirality at the Nanoscale

Edith Botek (Contributor)
17 Sep 200721 Sep 2007

Activity: Participating in or organising an event typesParticipation in conference

CW Study Group of Spectroscopy and Theory

Edith Botek (Contributor)
29 Jan 200730 Jan 2007

Activity: Participating in or organising an event typesParticipation in conference

ICONO9/ICOPE 2006

Edith Botek (Contributor)
24 Sep 200628 Sep 2006

Activity: Participating in or organising an event typesParticipation in conference

An afternoon trip in nonlinear optics. Experiment, simulation, and interpretation.

Edith Botek (Contributor)
22 Sep 2006

Activity: Participating in or organising an event typesParticipation in workshop, seminar, course

Belgian Polymer Group

Edith Botek (Contributor)
18 May 200619 May 2006

Activity: Participating in or organising an event typesParticipation in conference