Lista de obras - Angelika Baranowska-Łączkowska

Accurate calculation of optically induced birefringences in chiral systems using efficient polarized basis sets

scientific article published on 01 December 2018

Accurate calculation of the intensity dependence of the refractive index using polarized basis sets ⬇️

artículo científico publicado el 14 de enero de 2012

Applicability of medium-size basis sets in calculations of molecular dynamic polarisabilities

Basis sets for the evaluation of van der Waals complex interaction energies: Ne-N2 intermolecular potential and microwave spectrum.

artículo científico publicado en 2013

Comparison of Property-Oriented Basis Sets for the Computation of Electronic and Nuclear Relaxation Hyperpolarizabilities.

artículo científico publicado en 2015

Interaction-induced electric properties and cooperative effects in model systems

artículo científico publicado en 2009

New Basis Set for the Evaluation of Specific Rotation in Flexible Biological Molecules in Solution

scientific article published on 07 June 2018

New bases for the evaluation of interaction energies: An ab initio study of the CO–Ne van der Waals complex intermolecular potential and ro-vibrational spectrum

article

New basis set for the prediction of the specific rotation in flexible biological molecules

scholarly article in RSC Advances, vol. 6 no. 24, 2016

New basis sets for the evaluation of interaction energies: an ab initio study of the He–He, Ne–Ne, Ar–Ar, He–Ne, He–Ar and Ne–Ar van der Waals complex internuclear potentials and ro-vibrational spectra ⬇️

artículo científico publicado el 27 de septiembre de 2010

New basis sets for the evaluation of interaction-induced electric properties in hydrogen-bonded complexes

artículo científico publicado en 2012

Nonlinear effects in the interaction of time-dependent fields and chiral systems: A computational investigation

artículo científico publicado en 2006

Novel Azocoumarin Derivatives—Synthesis and Characterization

artículo científico publicado en 2022

On the performance of long-range-corrected density functional theory and reduced-size polarized LPol-n basis sets in computations of electric dipole (hyper)polarizabilities of π-conjugated molecules.

artículo científico publicado en 2012

Performance of Property-Optimized Basis Sets for Optical Rotation with Coupled Cluster Theory

artículo científico publicado en 2018

Polarized basis sets for accurate calculations of static and dynamic electric properties of molecules

artículo científico publicado en 2010

Recent studies on the thalidomide and its derivatives

artículo científico publicado en 2018

Small and Efficient Basis Sets for the Evaluation of Accurate Interaction Energies: Aromatic Molecule–Argon Ground-State Intermolecular Potentials and Rovibrational States

artículo científico publicado en 2014

Small and efficient basis sets for the evaluation of accurate interaction-induced linear and non-linear electric properties in model hydrogen-bonded complexes

Synthesis and Physicochemical Characterization of Novel Dicyclopropyl-Thiazole Compounds as Nontoxic and Promising Antifungals

artículo científico publicado en 2021

Synthesis and in vitro antiproliferative activity of thiazole-based nitrogen mustards: the hydrogen bonding interaction between model systems and nucleobases

artículo científico publicado en 2014

Synthesis, Antibacterial Activity, Interaction with Nucleobase and Molecular Docking Studies of 4-Formylbenzoic Acid Based Thiazoles

artículo científico publicado en 2016

Synthesis, antimicrobial and anticonvulsant screening of small library of tetrahydro-2H-thiopyran-4-yl based thiazoles and selenazoles.

artículo científico publicado en 2016

Synthesis, antimicrobial evaluation and theoretical prediction of NMR chemical shifts of thiazole and selenazole derivatives with high antifungal activity against Candida spp

Synthesis, lipophilicity determination, DFT calculation, antifungal and DPPH radical scavenging activities of tetrahydrothiophen-3-one based thiazoles

Synthesis, molecular docking, ctDNA interaction, DFT calculation and evaluation of antiproliferative and anti-Toxoplasma gondii activities of 2,4-diaminotriazine-thiazole derivatives.

artículo científico publicado en 2018

Systematic Analysis of the Role of Substituents in Oxiranes, Oxetanes, and Oxathietanes Chemical Shifts

artículo científico publicado en 2021

The B–H–B bridging interaction in B-substituted oxazaborolidine–borane complexes: a theoretical study

article

The CO–Ne van der Waals complex: ab initio intermolecular potential energy, interaction induced electric dipole moment and polarizability surfaces, and second virial coefficients

scientific article published on 20 August 2009

The ORP basis set designed for optical rotation calculations ⬇️

artículo científico publicado el 5 de junio de 2013

The Role of Substituents in Optical Rotation of Oxiranes, Oxetanes, and Oxathietanes

scientific article published on 27 March 2019

Theoretical calculation of NMR shifts in newly developed antibacterial 4-formylbenzoic acid-based thiazoles

Theoretical evaluation of NMR shifts in polycyclic aromatic hydrocarbons

Thiazole-based nitrogen mustards: Design, synthesis, spectroscopic studies, DFT calculation, molecular docking, and antiproliferative activity against selected human cancer cell lines

artículo científico publicado en 2016

Thiazoles with cyclopropyl fragment as antifungal, anticonvulsant, and anti-Toxoplasma gondii agents: synthesis, toxicity evaluation, and molecular docking study

scientific article published on 21 July 2018

Towards understanding the interaction of (S)-thalidomide with nucleobases

artículo científico publicado en 2020

Triazene salts: Design, synthesis, ctDNA interaction, lipophilicity determination, DFT calculation, and antiproliferative activity against human cancer cell lines

artículo científico publicado en 2018

Tropinone-Derived Alkaloids as Potent Anticancer Agents: Synthesis, Tyrosinase Inhibition, Mechanism of Action, DFT Calculation, and Molecular Docking Studies

artículo científico publicado en 2020

Lista de obras de Angelika Baranowska-Łączkowska

Accurate calculation of optically induced birefringences in chiral systems using efficient polarized basis sets

Accurate calculation of the intensity dependence of the refractive index using polarized basis sets ⬇️

Applicability of medium-size basis sets in calculations of molecular dynamic polarisabilities

Basis sets for the evaluation of van der Waals complex interaction energies: Ne-N2 intermolecular potential and microwave spectrum.

Comparison of Property-Oriented Basis Sets for the Computation of Electronic and Nuclear Relaxation Hyperpolarizabilities.

Interaction-induced electric properties and cooperative effects in model systems

New Basis Set for the Evaluation of Specific Rotation in Flexible Biological Molecules in Solution

New bases for the evaluation of interaction energies: An ab initio study of the CO–Ne van der Waals complex intermolecular potential and ro-vibrational spectrum

New basis set for the prediction of the specific rotation in flexible biological molecules

New basis sets for the evaluation of interaction energies: an ab initio study of the He–He, Ne–Ne, Ar–Ar, He–Ne, He–Ar and Ne–Ar van der Waals complex internuclear potentials and ro-vibrational spectra ⬇️

New basis sets for the evaluation of interaction-induced electric properties in hydrogen-bonded complexes

Nonlinear effects in the interaction of time-dependent fields and chiral systems: A computational investigation

Novel Azocoumarin Derivatives—Synthesis and Characterization

On the performance of long-range-corrected density functional theory and reduced-size polarized LPol-n basis sets in computations of electric dipole (hyper)polarizabilities of π-conjugated molecules.

Performance of Property-Optimized Basis Sets for Optical Rotation with Coupled Cluster Theory

Polarized basis sets for accurate calculations of static and dynamic electric properties of molecules

Recent studies on the thalidomide and its derivatives

Small and Efficient Basis Sets for the Evaluation of Accurate Interaction Energies: Aromatic Molecule–Argon Ground-State Intermolecular Potentials and Rovibrational States

Small and efficient basis sets for the evaluation of accurate interaction-induced linear and non-linear electric properties in model hydrogen-bonded complexes

Synthesis and Physicochemical Characterization of Novel Dicyclopropyl-Thiazole Compounds as Nontoxic and Promising Antifungals

Synthesis and in vitro antiproliferative activity of thiazole-based nitrogen mustards: the hydrogen bonding interaction between model systems and nucleobases

Synthesis, Antibacterial Activity, Interaction with Nucleobase and Molecular Docking Studies of 4-Formylbenzoic Acid Based Thiazoles

Synthesis, antimicrobial and anticonvulsant screening of small library of tetrahydro-2H-thiopyran-4-yl based thiazoles and selenazoles.

Synthesis, antimicrobial evaluation and theoretical prediction of NMR chemical shifts of thiazole and selenazole derivatives with high antifungal activity against Candida spp

Synthesis, lipophilicity determination, DFT calculation, antifungal and DPPH radical scavenging activities of tetrahydrothiophen-3-one based thiazoles

Synthesis, molecular docking, ctDNA interaction, DFT calculation and evaluation of antiproliferative and anti-Toxoplasma gondii activities of 2,4-diaminotriazine-thiazole derivatives.

Systematic Analysis of the Role of Substituents in Oxiranes, Oxetanes, and Oxathietanes Chemical Shifts

The B–H–B bridging interaction in B-substituted oxazaborolidine–borane complexes: a theoretical study

The CO–Ne van der Waals complex: ab initio intermolecular potential energy, interaction induced electric dipole moment and polarizability surfaces, and second virial coefficients

The ORP basis set designed for optical rotation calculations ⬇️

The Role of Substituents in Optical Rotation of Oxiranes, Oxetanes, and Oxathietanes

Theoretical calculation of NMR shifts in newly developed antibacterial 4-formylbenzoic acid-based thiazoles

Theoretical evaluation of NMR shifts in polycyclic aromatic hydrocarbons

Thiazole-based nitrogen mustards: Design, synthesis, spectroscopic studies, DFT calculation, molecular docking, and antiproliferative activity against selected human cancer cell lines

Thiazoles with cyclopropyl fragment as antifungal, anticonvulsant, and anti-Toxoplasma gondii agents: synthesis, toxicity evaluation, and molecular docking study

Towards understanding the interaction of (S)-thalidomide with nucleobases

Triazene salts: Design, synthesis, ctDNA interaction, lipophilicity determination, DFT calculation, and antiproliferative activity against human cancer cell lines

Tropinone-Derived Alkaloids as Potent Anticancer Agents: Synthesis, Tyrosinase Inhibition, Mechanism of Action, DFT Calculation, and Molecular Docking Studies