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Role of nitrogen doping in stoichiometric and defective carbon nano-onions: Structural diversity from DFT calculations

Carbon (New York), 2021-05, Vol.176, p.198-208

2021

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Fluorescent Sensor Based on 1H-Pyrazolo[3,4-b]quinoline Derivative for Detecting Zn2+ Cations

Molecules (Basel, Switzerland), 2024-02, Vol.29 (4), p.823

2024

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Non-stoichiometric magnetite as catalyst for the photocatalytic degradation of phenol and 2,6-dibromo-4-methylphenol - a new approach in water treatment

Beilstein journal of nanotechnology, 2022-12, Vol.13, p.1531-1540

2022

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Structural modification and band gap engineering of carbon nano-onions via sulphur doping: Theoretical DFT study

Applied surface science, 2023-03, Vol.613, p.156046, Article 156046

2023

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Reduction potentials of perfluorinated organic acids in alkaline polar solvents. Computational thermodynamic insight into the electron-attachment induced defluorination

Journal of molecular liquids, 2024-03, Vol.397, p.123929, Article 123929

2024

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Quantitatively Adequate Calculations of the H‑Chelate Ring Distortion upon the S0 → S1(ππ) Excitation in Internally H‑Bonded o‑Anthranilic Acid: CC2 Coupled-Cluster versus TDDFT

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2018-08, Vol.122 (30), p.6243-6255

2018

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Theoretical Modeling of Deuteration-Induced Shifts of the 0–0 Bands in Absorption Spectra of Selected Aromatic Amines: The Role of the Double-Well Potential

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2013-12, Vol.117 (48), p.12770-12782

2013

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Combined XRD and DFT studies towards understanding the impact of intramolecular H-bonding on the reductive cyclization process in pyrazole derivatives

Journal of molecular structure, 2020-01, Vol.1200, p.127087, Article 127087

2020

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Photoinduced charge transfer in push-pull pyrazoline-based chromophores – Relationship between molecular structure and photophysical, photovoltaic properties

Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy, 2023-08, Vol.296, p.122643, Article 122643

2023

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Isotopic effects in the S1 exited state of anthranilic acid deuterated in various positions in substituent groups. Supersonic-jet LIF spectroscopy and CC2 ab initio study

Chemical physics, 2015-04, Vol.450-451, p.46-58

2015

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Molecular and crystal structure of selected compounds containing 8,11-dioxa[4.3.3]propellane moiety

Journal of molecular structure, 2012-03, Vol.1012, p.87-96

2012

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Fluorescent Sensor Based on 1IH/I-Pyrazolo[3,4-Ib/I]quinoline Derivative for Detecting Zn[sup.2+] Cations

Molecules (Basel, Switzerland), 2024-02, Vol.29 (4)

2024

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LIF excitation spectra for S0→S1 transition of deuterated anthranilic acid COOD, ND2 in supersonic-jet expansion

Journal of molecular spectroscopy, 2010-12, Vol.264 (2), p.129-136

2010

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LIF spectrum for the localised S0 → S1(ππ) excitation in the H-bonded anthranilic acid dimer: Symmetry breaking or coupling of vibrations

Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy, 2024-10, Vol.319, p.124491, Article 124491

2024

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A New Fluorescent Sensor Based on 1H-pyrazolo[3,4-b]quinoline Skeleton. Part 2

Journal of fluorescence, 2011-01, Vol.21 (1), p.375-383

2011

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Quantitatively Adequate Calculations of the H-Chelate Ring Distortion upon the S 0 → S 1 (ππ) Excitation in Internally H-Bonded o-Anthranilic Acid: CC2 Coupled-Cluster versus TDDFT

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2018-08, Vol.122 (30), p.6243-6255

2018

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Consistent Franck–Condon modeling of geometry changes for the S0→S1(ππ) excitation in anthranilic acid: LIF spectroscopy aided by CC2 or TDDFT vibrations

Journal of quantitative spectroscopy & radiative transfer, 2020-02, Vol.242, p.106747, Article 106747

2020

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LIF excitation spectra of jet-cooled 3,5-dicyanoaniline

Physical chemistry chemical physics : PCCP, 2003-10, Vol.5 (19), p.4096-4107

2003

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Franck–Condon analysis of laser-induced fluorescence excitation spectrum of anthranilic acid: Evaluation of geometry change upon S→S1 excitation

The Journal of chemical physics, 2009-02, Vol.130 (5)

2009

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Franck-Condon analysis of laser-induced fluorescence excitationspectrum of anthranilic acid: Evaluation of geometry changeupon S 0 → S 1 excitation

The Journal of chemical physics, 2009-02, Vol.130 (5), p.054307-054307-14

2009

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Fluorescent Sensor Based on 1 H -Pyrazolo[3,4- b ]quinoline Derivative for Detecting Zn 2+ Cations

Molecules (Basel, Switzerland), 2024-02, Vol.29 (4)

2024

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The new investigation of the b 3 Σ − – a 3 Π system of AlH

Journal of quantitative spectroscopy & radiative transfer, 2017-01, Vol.187, p.167-177

2017

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The new investigation of the b3Σ−–a3Π system of AlH

Journal of quantitative spectroscopy & radiative transfer, 2017-01, Vol.187, p.167-177

2017

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LIF excitation spectra of 2,6-dicyanoaniline

Chemical physics, 2002-12, Vol.285 (1), p.55-72

2002

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Electronic absorption spectrum of a nonlinear carbon chain : trans-C6H+4

Physical chemistry chemical physics : PCCP, 2005, Vol.7 (10), p.2138-2141

2005

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Role of nitrogen doping in stoichiometric and defective carbon nano-onions: Structural diversity from DFT calculations

Fluorescent Sensor Based on 1H-Pyrazolo[3,4-b]quinoline Derivative for Detecting Zn2+ Cations

Non-stoichiometric magnetite as catalyst for the photocatalytic degradation of phenol and 2,6-dibromo-4-methylphenol - a new approach in water treatment

Structural modification and band gap engineering of carbon nano-onions via sulphur doping: Theoretical DFT study

Reduction potentials of perfluorinated organic acids in alkaline polar solvents. Computational thermodynamic insight into the electron-attachment induced defluorination

Quantitatively Adequate Calculations of the H‑Chelate Ring Distortion upon the S0 → S1(ππ) Excitation in Internally H‑Bonded o‑Anthranilic Acid: CC2 Coupled-Cluster versus TDDFT

Theoretical Modeling of Deuteration-Induced Shifts of the 0–0 Bands in Absorption Spectra of Selected Aromatic Amines: The Role of the Double-Well Potential

Combined XRD and DFT studies towards understanding the impact of intramolecular H-bonding on the reductive cyclization process in pyrazole derivatives

Photoinduced charge transfer in push-pull pyrazoline-based chromophores – Relationship between molecular structure and photophysical, photovoltaic properties

Isotopic effects in the S1 exited state of anthranilic acid deuterated in various positions in substituent groups. Supersonic-jet LIF spectroscopy and CC2 ab initio study

Molecular and crystal structure of selected compounds containing 8,11-dioxa[4.3.3]propellane moiety

Fluorescent Sensor Based on 1IH/I-Pyrazolo[3,4-Ib/I]quinoline Derivative for Detecting Zn[sup.2+] Cations

LIF excitation spectra for S0→S1 transition of deuterated anthranilic acid COOD, ND2 in supersonic-jet expansion

LIF spectrum for the localised S0 → S1(ππ) excitation in the H-bonded anthranilic acid dimer: Symmetry breaking or coupling of vibrations

A New Fluorescent Sensor Based on 1H-pyrazolo[3,4-b]quinoline Skeleton. Part 2

Quantitatively Adequate Calculations of the H-Chelate Ring Distortion upon the S 0 → S 1 (ππ) Excitation in Internally H-Bonded o-Anthranilic Acid: CC2 Coupled-Cluster versus TDDFT

Consistent Franck–Condon modeling of geometry changes for the S0→S1(ππ) excitation in anthranilic acid: LIF spectroscopy aided by CC2 or TDDFT vibrations

LIF excitation spectra of jet-cooled 3,5-dicyanoaniline

Franck–Condon analysis of laser-induced fluorescence excitation spectrum of anthranilic acid: Evaluation of geometry change upon S→S1 excitation

Franck-Condon analysis of laser-induced fluorescence excitationspectrum of anthranilic acid: Evaluation of geometry changeupon S 0 → S 1 excitation

Fluorescent Sensor Based on 1 H -Pyrazolo[3,4- b ]quinoline Derivative for Detecting Zn 2+ Cations

The new investigation of the b 3 Σ − – a 3 Π system of AlH

The new investigation of the b3Σ−–a3Π system of AlH

LIF excitation spectra of 2,6-dicyanoaniline

Electronic absorption spectrum of a nonlinear carbon chain : trans-C6H+4

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