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QM evaluation of the intramolecular aromatic π-π interactions of Ir(I) complex transition states

Journal of molecular structure, 2023-11, Vol.1291, p.135907, Article 135907

2023

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Accurate identification of cysteine by a nucleophilic-reaction-induced conversion of an open-shell luminescent radical into closed-shell molecule

Sensors and actuators. B, Chemical, 2023-02, Vol.376, p.132934, Article 132934

2023

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Bogoliubov many-body perturbation theory for open-shell nuclei

Physics letters. B, 2018-11, Vol.786, p.195-200

2018

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Luminescence of doublet molecular systems

Coordination chemistry reviews, 2022-09, Vol.467, p.214616, Article 214616

2022

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Open-shell iron hydrocarbyls

Coordination chemistry reviews, 2017-11, Vol.350, p.285-299

2017

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On the radical behavior of large polycyclic aromatic hydrocarbons in soot formation and oxidation

Combustion and flame, 2022-01, Vol.235, p.111692, Article 111692

2022

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Vibration of composite open shell of hydrogen-electric fuselage with rectangular cutout in hygrothermal circumstances: theoretical and experimental research

Thin-walled structures, 2024-12, Vol.205, p.112473, Article 112473

2024

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Bogoliubov many-body perturbation theory under constraint

Annals of physics, 2021-01, Vol.424, p.168358, Article 168358

2021

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Free vibration analysis of moderately thick functionally graded open shells with general boundary conditions

Composite structures, 2014-11, Vol.117, p.169-186

2014

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Enhancing stability of diradical polycyclic hydrocarbons via P=O-attaching

Chinese chemical letters, 2024-08, Vol.35 (8), p.109745, Article 109745

2024

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Thienothiophene-centered ladder-type π-systems that feature distinct quinoidal π-extension

Chinese chemical letters, 2024-05, Vol.35 (5), p.109337, Article 109337

2024

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Synthesis, nonlinear optical, magnetic and electrical properties of ultra-stable open-shell pancake bonding linked perylene diimide anion radicals π-oligomer

Journal of molecular structure, 2020-01, Vol.1199, p.127002, Article 127002

2020

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Diradical approach toward organic near infrared dyes

Tetrahedron letters, 2016-12, Vol.57 (49), p.5426-5434

2016

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Anion-induced exchange interactions in binuclear complexes of Cu(II) with flexible hexadentate bispicolylamidrazone ligands

Chemical physics letters, 2016-09, Vol.661, p.48-52

2016

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Molecular and electron-spin structures of a ring-shaped mixed-valence polyoxovanadate (IV, V) studied by (11)B and (23)Na solid-state NMR spectroscopy and DFT calculations

Solid state nuclear magnetic resonance, 2016-06, Vol.76-77, p.15-23

2016

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A comparative DFT study of interactions of Au and small gold clusters Aun (n=2–4) with CH3S and CH2 radicals

Chemical physics letters, 2017-03, Vol.671, p.84-91

2017

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Singlet vs. triplet interelectronic repulsion in confined atoms

Chemical physics letters, 2018-06, Vol.702, p.106-110

2018

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Mechanistic investigations into the cyclopropanation of electron-deficient alkenes with ethyl diazoacetate using [Co(MeTAA)]

Journal of catalysis, 2018-05, Vol.361, p.347-360

2018

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A finite difference Hartree–Fock program for atoms and diatomic molecules

Computer physics communications, 2013-03, Vol.184 (3), p.799-811

Kobus, Jacek

2013

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Solution-processed organic light-emitting diodes with emission from a doublet exciton; using (2,4,6-trichlorophenyl)methyl as emitter

Organic electronics, 2017-05, Vol.44, p.126-131

2017

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Molecular engineering of narrow bandgap porphyrin derivatives for highly efficient photothermal conversion

Dyes and pigments, 2021-08, Vol.192, p.109460, Article 109460

2021

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Molecular and electron-spin structures of a ring-shaped mixed-valence polyoxovanadate (IV, V) studied by 11B and 23Na solid-state NMR spectroscopy and DFT calculations

Solid state nuclear magnetic resonance, 2016-06, Vol.76-77, p.15-23

2016

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On the calculation of Δ〈Sˆ2〉 for electronic excitations in time-dependent density-functional theory

Computer physics communications, 2017-04, Vol.213, p.72-91

2017

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Probing the aromaticity of bis(diazolo)pyrazine radical anions

Mendeleev communications, 2022-11, Vol.32 (6), p.732-734

2022

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Rovibrational spectrum and structure of the NO(X2Π)–CO2 open-shell complex

Journal of molecular spectroscopy, 2021-01, Vol.375, p.111393, Article 111393

2021

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QM evaluation of the intramolecular aromatic π-π interactions of Ir(I) complex transition states

Accurate identification of cysteine by a nucleophilic-reaction-induced conversion of an open-shell luminescent radical into closed-shell molecule

Bogoliubov many-body perturbation theory for open-shell nuclei

Luminescence of doublet molecular systems

Open-shell iron hydrocarbyls

On the radical behavior of large polycyclic aromatic hydrocarbons in soot formation and oxidation

Vibration of composite open shell of hydrogen-electric fuselage with rectangular cutout in hygrothermal circumstances: theoretical and experimental research

Bogoliubov many-body perturbation theory under constraint

Free vibration analysis of moderately thick functionally graded open shells with general boundary conditions

Enhancing stability of diradical polycyclic hydrocarbons via P=O-attaching

Thienothiophene-centered ladder-type π-systems that feature distinct quinoidal π-extension

Synthesis, nonlinear optical, magnetic and electrical properties of ultra-stable open-shell pancake bonding linked perylene diimide anion radicals π-oligomer

Diradical approach toward organic near infrared dyes

Anion-induced exchange interactions in binuclear complexes of Cu(II) with flexible hexadentate bispicolylamidrazone ligands

Molecular and electron-spin structures of a ring-shaped mixed-valence polyoxovanadate (IV, V) studied by (11)B and (23)Na solid-state NMR spectroscopy and DFT calculations

A comparative DFT study of interactions of Au and small gold clusters Aun (n=2–4) with CH3S and CH2 radicals

Singlet vs. triplet interelectronic repulsion in confined atoms

Mechanistic investigations into the cyclopropanation of electron-deficient alkenes with ethyl diazoacetate using [Co(MeTAA)]

A finite difference Hartree–Fock program for atoms and diatomic molecules

Solution-processed organic light-emitting diodes with emission from a doublet exciton; using (2,4,6-trichlorophenyl)methyl as emitter

Molecular engineering of narrow bandgap porphyrin derivatives for highly efficient photothermal conversion

Molecular and electron-spin structures of a ring-shaped mixed-valence polyoxovanadate (IV, V) studied by 11B and 23Na solid-state NMR spectroscopy and DFT calculations

On the calculation of Δ〈Sˆ2〉 for electronic excitations in time-dependent density-functional theory

Probing the aromaticity of bis(diazolo)pyrazine radical anions

Rovibrational spectrum and structure of the NO(X2Π)–CO2 open-shell complex

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