List of works - Anna Kaczmarek-Kedziera

Aggregation-induced chemical reactions: acid dissociation in growing water clusters

scientific article published on 25 February 2011

Aggregation-induced dissociation of HCl(H2O)4 below 1 K: the smallest droplet of acid.

scientific article

All-Optical Poling and Two-Photon Absorption in Heterocyclic Azo Dyes with Different Side Groups

scientific article published on 18 December 2018

Computational Study of the Influence of Nitrogen-Containing Unsaturated Heterocyclic Substituents on Electronic and Spectroscopic Properties of Squaraine Derivatives

scientific article published on 11 March 2019

Confinement effect on p-nitroaniline electronic spectrum and electric properties

scientific article published on 03 May 2011

Distance Effects of Phenylpiperazine-Containing Methacrylic Polymers on Optical and Structural Properties

scientific article

Effect of Geometrical Structure, Drying, and Synthetic Method on Aminated Chitosan-Coated Magnetic Nanoparticles Utility for HSA Effective Immobilization

scientific article published on 18 May 2019

Estimates of the energy of intramolecular hydrogen bonds

scientific article published on 01 September 2006

Experimental and theoretical investigations of spectroscopic properties of azobenzene derivatives in solution

scientific article published on 17 April 2007

First-order interaction energies and the basis set truncation effects

scientific article

Gas Phase Computational Study of Diclofenac Adsorption on Chitosan Materials

scientific article published on 30 May 2020

Influence of intermolecular interactions on the properties of carbon nanotubes

scientific article published on 19 May 2018

Interaction-induced electric properties and cooperative effects in model systems

scientific article published on 30 November 2009

Linear and nonlinear optical properties of azobenzene derivatives.

scientific article published on 14 January 2009

Molecular aspects of squaraine dyes aggregation and its influence on spectroscopic properties

Monomer basis-set truncation effects in calculations of interaction energies: A model study

scientific article published on 01 May 2004

New fluorescent [Ag(I)(Schiff base)] complexes derived from 9-anthracenecarboxaldehyde and their application in thin layers deposition

scientific article published in September 2017

Novel bright-blue luminescent complex of Zn(II) with 7-amino-methylchromen-4-one: Synthesis, photophysical properties and DFT calculations

scientific article

On the electron correlation effects on electronic and vibrational hyperpolarizability of merocyanine dyes.

scientific article

On the potential application of DFT methods in predicting the interaction-induced electric properties of molecular complexes. Molecular H-bonded chains as a case of study

scientific article published on 17 December 2011

Quantum effects on vibrational and electronic spectra of hydrazine studied by "on-the-fly" ab initio ring polymer molecular dynamics

scientific article published on 01 March 2009

Sarin and Soman: Structure and Properties

scientific article

Simple and efficient synthesis with theoretical calculations of novel N-halamine monomers

scientific article

Solvation of diclofenac in water from atomistic molecular dynamics simulations - interplay between solute-solute and solute-solvent interactions.

scientific article published on 14 March 2018

Structural and spectral studies of silver(I) complexes with new Schiff bases derived from 2-thiopheneethylamine and their application in thin layer deposition by spin and dip coating techniques

scientific article published in March 2017

Structural stability of diclofenac vs. inhibition activity from ab initio molecular dynamics simulations. Comparative study with ibuprofen and ketoprofen

article

Testing for Ketoprofen Binding to HSA Coated Magnetic Nanoparticles under Normal Conditions and after Oxidative Stress

scientific article published on 22 April 2020

Thermodynamics and kinetics of intramolecular proton transfer in Guanine. Post Hartree-Fock study

scientific article published on 01 July 2005

List of works by Anna Kaczmarek-Kedziera

Aggregation-induced chemical reactions: acid dissociation in growing water clusters

Aggregation-induced dissociation of HCl(H2O)4 below 1 K: the smallest droplet of acid.

All-Optical Poling and Two-Photon Absorption in Heterocyclic Azo Dyes with Different Side Groups

Computational Study of the Influence of Nitrogen-Containing Unsaturated Heterocyclic Substituents on Electronic and Spectroscopic Properties of Squaraine Derivatives

Confinement effect on p-nitroaniline electronic spectrum and electric properties

Distance Effects of Phenylpiperazine-Containing Methacrylic Polymers on Optical and Structural Properties

Effect of Geometrical Structure, Drying, and Synthetic Method on Aminated Chitosan-Coated Magnetic Nanoparticles Utility for HSA Effective Immobilization

Estimates of the energy of intramolecular hydrogen bonds

Experimental and theoretical investigations of spectroscopic properties of azobenzene derivatives in solution

First-order interaction energies and the basis set truncation effects

Gas Phase Computational Study of Diclofenac Adsorption on Chitosan Materials

Influence of intermolecular interactions on the properties of carbon nanotubes

Interaction-induced electric properties and cooperative effects in model systems

Linear and nonlinear optical properties of azobenzene derivatives.

Molecular aspects of squaraine dyes aggregation and its influence on spectroscopic properties

Monomer basis-set truncation effects in calculations of interaction energies: A model study

New fluorescent [Ag(I)(Schiff base)] complexes derived from 9-anthracenecarboxaldehyde and their application in thin layers deposition

Novel bright-blue luminescent complex of Zn(II) with 7-amino-methylchromen-4-one: Synthesis, photophysical properties and DFT calculations

On the electron correlation effects on electronic and vibrational hyperpolarizability of merocyanine dyes.

On the potential application of DFT methods in predicting the interaction-induced electric properties of molecular complexes. Molecular H-bonded chains as a case of study

Quantum effects on vibrational and electronic spectra of hydrazine studied by "on-the-fly" ab initio ring polymer molecular dynamics

Sarin and Soman: Structure and Properties

Simple and efficient synthesis with theoretical calculations of novel N-halamine monomers

Solvation of diclofenac in water from atomistic molecular dynamics simulations - interplay between solute-solute and solute-solvent interactions.

Structural and spectral studies of silver(I) complexes with new Schiff bases derived from 2-thiopheneethylamine and their application in thin layer deposition by spin and dip coating techniques

Structural stability of diclofenac vs. inhibition activity from ab initio molecular dynamics simulations. Comparative study with ibuprofen and ketoprofen

Testing for Ketoprofen Binding to HSA Coated Magnetic Nanoparticles under Normal Conditions and after Oxidative Stress

Thermodynamics and kinetics of intramolecular proton transfer in Guanine. Post Hartree-Fock study