List of works - Edith Botek

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

article

A joined theoretical-experimental investigation on the 1H and 13C NMR signatures of defects in poly(vinyl chloride).

scientific article published in November 2008

A three-step synthetic approach to asymmetrically functionalized 4H-cyclopenta[2,1-b:3,4-b']dithiophenes

scientific article published on November 2010

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

scientific article published in June 2009

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

article

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

Enhancement of Second Hyperpolarizabilities in Open-Shell Singlet Slipped-Stack Dimers Composed of Square Planar Nickel Complexes Involvingo-Semiquinonato Type Ligands

scientific article published on 19 January 2011

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]

scholarly article published in Chemical Physics Letters

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

scholarly article published in Theoretical Chemistry Accounts

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

scientific article published on 2 July 2008

Finite-Field Spin-Flip Configuration Interaction Calculation of the Second Hyperpolarizabilities of Singlet Diradical Systems.

scientific article published in September 2007

First and second hyperpolarizabilities of donor–acceptor disubstituted diphenalenyl radical systems

article by Masayoshi Nakano et al published July 2007 in Chemical Physics Letters

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

article

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

scientific article published on 01 October 2010

In situnitroxide-mediated polymerization of styrene promoted by theN-tert-butyl-α-isopropylnitrone/bpo pair: ESR investigations

Intermolecular interaction effects on the second hyperpolarizability of open-shell singlet diphenalenyl radical dimer

article by Masayoshi Nakano et al published March 2008 in Chemical Physics Letters

Joint Theoretical Experimental Investigation of the Electron Spin Resonance Spectra of Nitroxyl Radicals: Application to Intermediates inin SituNitroxide Mediated Polymerization (in SituNMP) of Vinyl Monomers

scientific article published on 05 August 2008

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

scientific article published in March 2010

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

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

article published in 2012

Open-Shell Characters and Second Hyperpolarizabilities of One-Dimensional Graphene Nanoflakes Composed of Trigonal Graphene Units

scientific article published on 17 May 2011

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

scientific article published in August 2006

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

scientific article published on 20 July 2007

Remarkable two-photon absorption in open-shell singlet systems

scientific article published on 01 September 2009

Second Hyperpolarizabilities (γ) of 1,3-Dipole Systems: Diradical Character Dependence of γ

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

scientific article published in March 2006

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

article

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

article by Masayoshi Nakano et al published September 2006 in Chemical Physics Letters

Second hyperpolarizabilities of singlet polycyclic diphenalenyl radicals: effects of the nature of the central heterocyclic ring and substitution to diphenalenyl rings.

scientific article published on 28 August 2007

Second hyperpolarizability (gamma) of singlet diradical system: dependence of gamma on the diradical character.

scientific article published in February 2005

Second-harmonic generation in GFP-like proteins.

scientific article published on 25 October 2008

Signature of multiradical character in second hyperpolarizabilities of rectangular graphene nanoflakes

article by Hiroshi Nagai et al published April 2010 in Chemical Physics Letters

Singlet Diradical Character from Experiment

article published in 2010

Spin State Dependence of Second Hyperpolarizabilities of Zethrenes

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

Synthesis and Characterization of Teranthene: A Singlet Biradical Polycyclic Aromatic Hydrocarbon Having Kekulé Structures

scientific article published in 2010

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

scientific article published on September 30, 2010

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

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

scientific article published in 2012

Theoretical investigation on the linear and nonlinear susceptibilities of urea crystal

scientific article published in June 2008

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

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

scientific article published on 14 August 2008

Theoretical study on the second hyperpolarizabilities of phenalenyl radical systems involving acetylene and vinylene linkers: diradical character and spin multiplicity dependences

scientific article published on 17 April 2007

Theoretical study on the second hyperpolarizability of open-shell singlet one-dimensional systems with a charged defect

article by Akihito Takebe et al published January 2008 in Chemical Physics Letters

List of works by Edith Botek

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

A joined theoretical-experimental investigation on the 1H and 13C NMR signatures of defects in poly(vinyl chloride).

A three-step synthetic approach to asymmetrically functionalized 4H-cyclopenta[2,1-b:3,4-b']dithiophenes

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

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

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

Enhancement of Second Hyperpolarizabilities in Open-Shell Singlet Slipped-Stack Dimers Composed of Square Planar Nickel Complexes Involvingo-Semiquinonato Type Ligands

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]

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

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

Finite-Field Spin-Flip Configuration Interaction Calculation of the Second Hyperpolarizabilities of Singlet Diradical Systems.

First and second hyperpolarizabilities of donor–acceptor disubstituted diphenalenyl radical systems

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

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

In situnitroxide-mediated polymerization of styrene promoted by theN-tert-butyl-α-isopropylnitrone/bpo pair: ESR investigations

Intermolecular interaction effects on the second hyperpolarizability of open-shell singlet diphenalenyl radical dimer

Joint Theoretical Experimental Investigation of the Electron Spin Resonance Spectra of Nitroxyl Radicals: Application to Intermediates inin SituNitroxide Mediated Polymerization (in SituNMP) of Vinyl Monomers

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

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

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

Open-Shell Characters and Second Hyperpolarizabilities of One-Dimensional Graphene Nanoflakes Composed of Trigonal Graphene Units

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

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

Remarkable two-photon absorption in open-shell singlet systems

Second Hyperpolarizabilities (γ) of 1,3-Dipole Systems: Diradical Character Dependence of γ

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

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

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

Second hyperpolarizabilities of singlet polycyclic diphenalenyl radicals: effects of the nature of the central heterocyclic ring and substitution to diphenalenyl rings.

Second hyperpolarizability (gamma) of singlet diradical system: dependence of gamma on the diradical character.

Second-harmonic generation in GFP-like proteins.

Signature of multiradical character in second hyperpolarizabilities of rectangular graphene nanoflakes

Singlet Diradical Character from Experiment

Spin State Dependence of Second Hyperpolarizabilities of Zethrenes

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

Synthesis and Characterization of Teranthene: A Singlet Biradical Polycyclic Aromatic Hydrocarbon Having Kekulé Structures

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

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

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

Theoretical investigation on the linear and nonlinear susceptibilities of urea crystal

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

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

Theoretical study on the second hyperpolarizabilities of phenalenyl radical systems involving acetylene and vinylene linkers: diradical character and spin multiplicity dependences

Theoretical study on the second hyperpolarizability of open-shell singlet one-dimensional systems with a charged defect

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

Third-Order Nonlinear Optical Properties of Open-Shell Systems: Diradical Character and Spin State Dependences

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