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Predicting the regioselectivity of nucleophilic addition to arynes using frontier molecular orbital contribution analysis

Tetrahedron letters, 2017-08, Vol.58 (34), p.3362-3365

2017

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Conjugated Molecular Nanotubes

Chemistry : a European journal, 2021-06, Vol.27 (34), p.8642-8655

2021

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Electron‐Transfer‐Induced Self‐Assembly of a Molecular Tweezer Platform

Chemistry : a European journal, 2020-11, Vol.26 (62), p.14085-14089

2020

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Predicting the regioselectivity of arynes: a simple model based on orbital electronegativity

New journal of chemistry, 2019, Vol.43 (3), p.1130-1133

2019

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Regioselectivity in the Scholl Reaction: Mono and Double [7]Helicenes

Organic letters, 2021-07, Vol.23 (13), p.5170-5174

2021

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Novel detection of H.pylori using ultrasensitive electrochemical aptasensor based on surface modified graphene oxide doped gold nanoparticles conjugated polythiophene

Microchemical journal, 2024-05, Vol.200, p.110279, Article 110279

2024

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Carbon-Based Nanotubes

2022

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Mechanistic study of allopurinol oxidation using aldehyde oxidase, xanthine oxidase and cytochrome P450 enzymes

RSC advances, 2016, Vol.6 (111), p.109672-109680

2016

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Decarboxylative Cyclization of Proline with o‑Alkynylbenzaldehyde through an Unexploited 8π-Electrocyclization: A DFT Study

Journal of organic chemistry, 2022-08, Vol.87 (15), p.9543-9550

2022

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Erratum to “Predicting the regioselectivity of nucleophilic addition to arynes using frontier molecular orbital contribution analysis” [Tetrahedron Lett. 58 (2017) 3362–3365]

Tetrahedron letters, 2017-10, Vol.58 (40), p.3910-3911

2017

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Efficient removal of heavy metal ions from the water of oil‐rich regions using layered metal‐phosphate incorporated activated carbon nanocomposite

Water and environment journal : WEJ, 2020-12, Vol.34 (S1), p.893-905

2020

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Dual molecular tweezers extending from a nanohoop

Chemical communications (Cambridge, England), 2024

2024

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Mechanism-Based Inactivation of Cytochrome P450 Enzymes: Computational Insights

Chemical research in toxicology, 2021-04, Vol.34 (4), p.959-987

2021

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Proton shuttle efficiency of bicarbonate: A theoretical study on tautomerization and CO2 hydration

Tetrahedron, 2019-11, Vol.75 (48), p.130693, Article 130693

2019

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Correction to “Radially Oriented [n]Cyclo-meta-phenylenes”

Organic letters, 2022-08, Vol.24 (31), p.5866-5866

2022

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Reversible dioxygen uptake at [Cu] clusters

Chemical science (Cambridge), 2024-04, Vol.15 (14), p.5327-5332

2024

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2-Picolinic acid as a naturally occurring hydrogen bond donor for the preparation of cyclic carbonates from terminal/internal epoxides and CO2

Green chemistry : an international journal and green chemistry resource : GC, 2022-11, Vol.24 (23), p.9069-9083

2022

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Improving Performance of the SMD Solvation Model: Bondi Radii Improve Predicted Aqueous Solvation Free Energies of Ions and pKa Values of Thiols

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2019-11, Vol.123 (44), p.9498-9504

2019

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Efficient reassembling of graphs, part 1: the linear case

Journal of combinatorial optimization, 2017-04, Vol.33 (3), p.1057-1089

2017

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2-Picolinic acid as a naturally occurring hydrogen bond donor for the preparation of cyclic carbonates from terminal/internal epoxides and CO

Green chemistry : an international journal and green chemistry resource : GC, 2022-11, Vol.24 (23), p.969-983

2022

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2-Picolinic acid as a naturally occurring hydrogen bond donor for the preparation of cyclic carbonates from terminal/internal epoxides and CO 2

Green chemistry : an international journal and green chemistry resource : GC, 2022-11, Vol.24 (23), p.9069-9083

2022

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Corrigendum to “Novel detection of H.pylori using ultrasensitive electrochemical aptasensor based on surface modified graphene oxide doped gold nanoparticles conjugated polythiophene” [J.; Microchem. J. 200 (2024) 110279]

Microchemical journal, 2024-09, Vol.204, p.110572, Article 110572

2024

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Correction: Tubularenes

Chemical science (Cambridge), 2020-10, Vol.11 (41), p.11351-11351

2020

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Improving Performance of the SMD Solvation Model: Bondi Radii Improve Predicted Aqueous Solvation Free Energies of Ions and p K a Values of Thiols

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2019-11, Vol.123 (44), p.9498-9504

2019

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Improving Performance of the SMD Solvation Model: Bondi Radii Improve Predicted Aqueous Solvation Free Energies of Ions and pK a Values of Thiols

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2019-11, Vol.123 (44), p.9498-9504

2019

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Predicting the regioselectivity of nucleophilic addition to arynes using frontier molecular orbital contribution analysis

Conjugated Molecular Nanotubes

Electron‐Transfer‐Induced Self‐Assembly of a Molecular Tweezer Platform

Predicting the regioselectivity of arynes: a simple model based on orbital electronegativity

Regioselectivity in the Scholl Reaction: Mono and Double [7]Helicenes

Novel detection of H.pylori using ultrasensitive electrochemical aptasensor based on surface modified graphene oxide doped gold nanoparticles conjugated polythiophene

Carbon-Based Nanotubes

Mechanistic study of allopurinol oxidation using aldehyde oxidase, xanthine oxidase and cytochrome P450 enzymes

Decarboxylative Cyclization of Proline with o‑Alkynylbenzaldehyde through an Unexploited 8π-Electrocyclization: A DFT Study

Erratum to “Predicting the regioselectivity of nucleophilic addition to arynes using frontier molecular orbital contribution analysis” [Tetrahedron Lett. 58 (2017) 3362–3365]

Efficient removal of heavy metal ions from the water of oil‐rich regions using layered metal‐phosphate incorporated activated carbon nanocomposite

Dual molecular tweezers extending from a nanohoop

Mechanism-Based Inactivation of Cytochrome P450 Enzymes: Computational Insights

Proton shuttle efficiency of bicarbonate: A theoretical study on tautomerization and CO2 hydration

Correction to “Radially Oriented [n]Cyclo-meta-phenylenes”

Reversible dioxygen uptake at [Cu] clusters

2-Picolinic acid as a naturally occurring hydrogen bond donor for the preparation of cyclic carbonates from terminal/internal epoxides and CO2

Improving Performance of the SMD Solvation Model: Bondi Radii Improve Predicted Aqueous Solvation Free Energies of Ions and pKa Values of Thiols

Efficient reassembling of graphs, part 1: the linear case

2-Picolinic acid as a naturally occurring hydrogen bond donor for the preparation of cyclic carbonates from terminal/internal epoxides and CO

2-Picolinic acid as a naturally occurring hydrogen bond donor for the preparation of cyclic carbonates from terminal/internal epoxides and CO 2

Corrigendum to “Novel detection of H.pylori using ultrasensitive electrochemical aptasensor based on surface modified graphene oxide doped gold nanoparticles conjugated polythiophene” [J.; Microchem. J. 200 (2024) 110279]

Correction: Tubularenes

Improving Performance of the SMD Solvation Model: Bondi Radii Improve Predicted Aqueous Solvation Free Energies of Ions and p K a Values of Thiols

Improving Performance of the SMD Solvation Model: Bondi Radii Improve Predicted Aqueous Solvation Free Energies of Ions and pK a Values of Thiols

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