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Tuning Mechanically Interlocked Molecules to Recognize Anions and Cations: A Computational Study

Chemistry : a European journal, 2023-07, Vol.29 (41), p.e202203905-n/a

2023

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How does the total charge and isomerism influence the Ru-NO ammine complexes?

Physical chemistry chemical physics : PCCP, 2018, Vol.20 (19), p.13348-13356

2018

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The simultaneous recognition mechanism of cations and anions using macrocyclic–iodine structures: insights from dispersion-corrected DFT calculations

Physical chemistry chemical physics : PCCP, 2020-11, Vol.22 (41), p.23795-23803

2020

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The use of molecular electronic structure methods to investigate mechanically interlocked molecules

Physical chemistry chemical physics : PCCP, 2023-07, Vol.25 (29), p.1949-19421

2023

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Cation recognition controlled by protonation or chemical reduction: a computational study

Physical chemistry chemical physics : PCCP, 2023-06, Vol.25 (22), p.15518-1553

2023

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The design of anion-π interactions and hydrogen bonds for the recognition of chloride, bromide and nitrate anions

Physical chemistry chemical physics : PCCP, 2021-05, Vol.23 (19), p.11455-11465

2021

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Anion recognition using enhanced halogen bonding through intramolecular hydrogen bonds - a computational insight

New journal of chemistry, 2023-02, Vol.47 (9), p.4439-4447

2023

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Can the relative positions (-) of ligands really modulate the coordination of NO in ruthenium nitrosyl complexes?

New journal of chemistry, 2021-01, Vol.45 (3), p.1658-1666

2021

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The π-donor/acceptor trans effect on NO release in ruthenium nitrosyl complexes: a computational insight

New journal of chemistry, 2021-05, Vol.45 (20), p.8949-8957

2021

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Design of supramolecular systems capable of recognizing anions uniquely by aliphatic C-H anion hydrogen bonds: theoretical insights

New journal of chemistry, 2021-10, Vol.45 (41), p.19584-19592

2021

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Designing boron and metal complexes for fluoride recognition: a computational perspective

Physical chemistry chemical physics : PCCP, 2021-10, Vol.23 (39), p.22768-22778

2021

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On the recognition of chloride, bromide and nitrate anions by anthracene-squaramide conjugated compounds: a computational perspective

New journal of chemistry, 2020-10, Vol.44 (41), p.17831-17839

2020

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How does the acidic milieu interfere in the capability of ruthenium nitrosyl complexes to release nitric oxide?

New journal of chemistry, 2020-01, Vol.44 (3), p.773-779

2020

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The anionic recognition mechanism based on polyol and boronic acid receptors

New journal of chemistry, 2020-04, Vol.44 (14), p.5564-5571

2020

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Theoretical study of chloride complexes with hybrid macrocycles

New journal of chemistry, 2021-01, Vol.45 (1), p.463-47

2021

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Tracking the role of trans -ligands in ruthenium–NO bond lability: computational insight

New journal of chemistry, 2020-07, Vol.44 (27), p.11448-11456

2020

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Double-bond elucidation for arsagermene with a tricoordinate germanium center: a theoretical survey

New journal of chemistry, 2019-10, Vol.43 (39), p.15681-1569

2019

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Synthesis of (-) - 6,6'-dinitrohinokinin from hinokinin natural product and in silico and in vitro trypanocidal activity assessment

Bioscience journal, 2024-01, Vol.40, p.e40016-e40016

2024

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How does the total charge and isomerism influence the Ru-NO ammine complexes?Electronic supplementary information (ESI) available: Experimental and calculated geometric parameters of the complexes: cis-[RuCl(NO)(NH3)4]2+ (12+), trans-[RuCl(NO)(NH3)4]2+ (22+), and [Ru(NO)(NH3)5]3+ (33+). Electron density Laplacian contour line maps to the structures: 1+, 13+, 2+, 23+, 3+ and 32+. All calculated parameters for the Ru-NH3, and Ru-Cl bonds. Nucleophilic Fukui function for all atoms of the compounds

2018-05

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Molecular interaction analysis of the lignans from Piper cubeba in complex with Haemonchus contortus phosphomethyltransferase

Veterinary parasitology, 2023-09, Vol.321, p.110001-110001, Article 110001

2023

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The π-donor/acceptor effect on NO release in ruthenium nitrosyl complexes: a computational insight

New journal of chemistry, 2021-05, Vol.45 (2), p.8949-8957

2021

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Anti-melanoma effect of ruthenium(II)-diphosphine complexes containing naphthoquinone ligand

Journal of inorganic biochemistry, 2021-09, Vol.222, p.111497, Article 111497

2021

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Luminescent Properties of β-(hydroxyaryl)-butenolides and Fluorescence Quenching in Water

Journal of fluorescence, 2024-01

2024

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Guttiferone E Displays Antineoplastic Activity Against Melanoma Cells

Planta medica, 2023-02, Vol.89 (2), p.158-167

2023

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How computational methods and relativistic effects influence the study of chemical reactions involving Ru‐NO complexes?

Journal of computational chemistry, 2017-05, Vol.38 (12), p.883-891

2017

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Tuning Mechanically Interlocked Molecules to Recognize Anions and Cations: A Computational Study

How does the total charge and isomerism influence the Ru-NO ammine complexes?

The simultaneous recognition mechanism of cations and anions using macrocyclic–iodine structures: insights from dispersion-corrected DFT calculations

The use of molecular electronic structure methods to investigate mechanically interlocked molecules

Cation recognition controlled by protonation or chemical reduction: a computational study

The design of anion-π interactions and hydrogen bonds for the recognition of chloride, bromide and nitrate anions

Anion recognition using enhanced halogen bonding through intramolecular hydrogen bonds - a computational insight

Can the relative positions (-) of ligands really modulate the coordination of NO in ruthenium nitrosyl complexes?

The π-donor/acceptor trans effect on NO release in ruthenium nitrosyl complexes: a computational insight

Design of supramolecular systems capable of recognizing anions uniquely by aliphatic C-H anion hydrogen bonds: theoretical insights

Designing boron and metal complexes for fluoride recognition: a computational perspective

On the recognition of chloride, bromide and nitrate anions by anthracene-squaramide conjugated compounds: a computational perspective

How does the acidic milieu interfere in the capability of ruthenium nitrosyl complexes to release nitric oxide?

The anionic recognition mechanism based on polyol and boronic acid receptors

Theoretical study of chloride complexes with hybrid macrocycles

Tracking the role of trans -ligands in ruthenium–NO bond lability: computational insight

Double-bond elucidation for arsagermene with a tricoordinate germanium center: a theoretical survey

Synthesis of (-) - 6,6'-dinitrohinokinin from hinokinin natural product and in silico and in vitro trypanocidal activity assessment

Molecular interaction analysis of the lignans from Piper cubeba in complex with Haemonchus contortus phosphomethyltransferase

The π-donor/acceptor effect on NO release in ruthenium nitrosyl complexes: a computational insight

Anti-melanoma effect of ruthenium(II)-diphosphine complexes containing naphthoquinone ligand

Luminescent Properties of β-(hydroxyaryl)-butenolides and Fluorescence Quenching in Water

Guttiferone E Displays Antineoplastic Activity Against Melanoma Cells

How computational methods and relativistic effects influence the study of chemical reactions involving Ru‐NO complexes?

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