Edith Botek

  • 3377 Citations
  • 34 h-Index
1985 …2018
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Research Output 1996 2018

  • 3377 Citations
  • 34 h-Index
  • 106 Article
  • 6 Conference contribution
  • 1 Paper
2004
Hamiltonians
Quantum chemistry
Electron correlations
quantum chemistry
dynamic response

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

Hamiltonians
Dipole moment
Optical properties
optical properties
helices
2003

Effective molecular polarizabilities and hyperpolarizabilities in all-trans hexatriene clusters

Botek, E. & Champagne, B., 7 Mar 2003, In : Chemical Physics Letters. 370, 1-2, p. 197-203 7 p.

Research output: Contribution to journalArticle

orbitals
Molecules
Decomposition
decomposition
molecules

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

2002

Electronic excitations and first hyperpolarizability of 2-methyl-4-nitroaniline clusters

Guillaume, M., Botek, E., Champagne, B., Castet, F. & Ducasse, L., 15 Nov 2002, In : International Journal of Quantum Chemistry. 90, 4-5, p. 1378-1387 10 p.

Research output: Contribution to journalArticle

Dipole moment
Excited states
Electron transitions
Charge transfer
dipole moments
Quantum chemistry
quantum chemistry
Vibrational spectra
Chromophores
Harmonic generation

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

Benzoic Acid
benzoic acid
Carboxylic Acids
carboxylic acids
Electronic structure
2001

Attachment of alkali cations on glucose: experimental study by maldi-tof and theoretical ab initio calculations.

Botek, E., Debrun, J. L., Hakim, B. & Morin-Allory, L., 2001, In : Rapid Comm. Mass Spectrom.. 15

Research output: Contribution to journalArticle

1998

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

1997

Experimental and theoretical study of the ethoxy group conformational effect on 13C chemical shifts in ortho-substituted phenetols.

Kowalewski, DG., Kowalewski, VJ., Botek, E., Contreras, RH. & Facelli, JC., 1997, In : Magn. Reson. Chem.. 35

Research output: Contribution to journalArticle

1996

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