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Emilia Sicilia

University of Calabria

H指数:38

被引数:5,159

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Isomeric Effects in Diphosphine Carbonyl Ruthenium(II) Complexes Influence the Catalytic Transfer Hydrogenation of NADH

二磷化羰基钌(II)异构体效应对NADH催化转移氢化的影响

Organometallics

IF2.9

2026-05-200

OA

DFT Insights on Ligand Photodissociation Pathways in Ruthenium–Terpyridine Complexes: 3MLCT- or 3MC-Triggered?

密度泛函理论对钌-三吡啶配合物中配体光解路径的见解：是3MLCT触发还是3MC触发？

Inorganic Chemistry

IF4.7

2026-04-210

OA

Photophysical Properties of a Mn(I) Tricarbonyl PhotoCORM With 8-Aminoquinoline Ligand: Insights From Theory

含8-氨基喹啉配体的Mn(I)三羰基光CORM的光物理性质：理论见解

Journal of Computational Chemistry

IF4.8

2026-02-240

OAAI

Prediction of Pt, Ir, Ru, and Rh complexes light absorption in the therapeutic window for phototherapy using machine learning

JOURNAL OF CHEMINFORMATICS

IF5.7

2025-01-050

OAAI

Unveiling the Potential of Sulfur-Rich Macrocyclic Chelators Against Cadmium Poisoning

揭示富硫大环螯合剂对镉中毒的潜力

INORGANIC CHEMISTRY

IF4.7

2024-11-300

PRE

Red-Light Photocatalytic Activation of Pt(IV) Anticancer Prodrugs Using Methylene Blue

IF3.9

2024-11-240

PRE

When Metal Complexes Evolve, and a Minor Species is the Most Active: the Case of Bis(Phenanthroline)Copper in the Catalysis of Glutathione Oxidation and Hydroxyl Radical Generation

ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

IF16.9

2024-11-130

PRE

DFT Computational Analysis of the Mechanism of Action of Ru(II) Polypyridyl Complexes as Photoactivated Chemotherapy Agents: From Photoinduced Ligand Solvolysis to DNA Binding

INORGANIC CHEMISTRY

IF4.7

2024-10-111

PRE

Computational assessment of the use of graphene-based nanosheets as PtII chemotherapeutics delivery systems

JOURNAL OF COMPUTATIONAL CHEMISTRY

IF4.8

2024-05-130

PRE

Ruthenium complexes bearing nile red chromophore and one of its derivative: Theoretical evaluation of PDT-related properties

JOURNAL OF COMPUTATIONAL CHEMISTRY

IF4.8

2024-05-115

PRE

Machine Learning-Based Prediction of Reduction Potentials for PtIV Complexes

JOURNAL OF CHEMICAL INFORMATION AND MODELING

IF5.3

2024-04-291

PRE

A Photodynamic and Photochemotherapeutic Platinum-Iridium Charge-Transfer Conjugate for Anticancer Therapy

ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

IF16.9

2024-04-248

OAAI

Manganese PNN pincer complex for hydrogenation of carbamate and urea derivatives: Reaction mechanism examined by DFT calculations

用于氨基甲酸酯和尿素衍生物氢化的锰PNN钳形络合物: 通过DFT计算检查的反应机理

MOLECULAR CATALYSIS

IF4.9

2024-03-012

OAAI

Photosubstitution and photoreduction of a diazido platinum(iv) anticancer complex

DALTON TRANSACTIONS

IF3.3

2024-01-013

OA

Cytotoxic Pt(ii) complexes containing alizarin: a selective carrier for DNA metalation

DALTON TRANSACTIONS

IF3.3

2024-01-011

OA

A detailed density functional theory exploration of the photodissociation mechanism of ruthenium complexes for photoactivated chemotherapy

DALTON TRANSACTIONS

IF3.3

2024-01-015

OA

Tuning the photoactivated anticancer activity of Pt(IV) compounds via distant ferrocene conjugation

CHEMICAL SCIENCE

IF7.4

2024-01-015

OAAI

Insights on cyclophosphamide metabolism and anticancer mechanism of action: A computational study

JOURNAL OF COMPUTATIONAL CHEMISTRY

IF4.8

2023-12-139

OAAI

Flavin-Conjugated Pt(IV) Anticancer Agents

INORGANIC CHEMISTRY

IF4.7

2023-03-2916

OA

Dual Role of Glutathione as a Reducing Agent and Cu-Ligand Governs the ROS Production by Anticancer Cu-Thiosemicarbazone Complexes

INORGANIC CHEMISTRY

IF4.7

2023-02-2015

OAAI