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Reversible Light-Induced Dimerization of Secondary Face Azobenzene-Functionalized β‑Cyclodextrin Derivatives

Journal of organic chemistry, 2023-07, Vol.88 (13), p.8674-8689

2023

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Theoretical and Computational Photochemistry: Fundamentals, Methods, Applications and Synergy with Experimental Approaches

1, 2023

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Modulating Efficiency and Color of Thermally Activated Delayed Fluorescence by Rationalizing the Substitution Effect

Journal of chemical theory and computation, 2024-05, Vol.20 (10), p.4239-4253

2024

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Mechanism and Scope of Phosphinidene Transfer from Dibenzo-7-phosphanorbornadiene Compounds

Journal of the American Chemical Society, 2017-08, Vol.139 (31), p.10822-10831

2017

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Role of RNA Guanine Quadruplexes in Favoring the Dimerization of SARS Unique Domain in Coronaviruses

The journal of physical chemistry letters, 2020-07, Vol.11 (14), p.5661-5667

2020

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Rational Design and Synthesis of Efficient Sunscreens To Boost the Solar Protection Factor

Angewandte Chemie International Edition, 2017-03, Vol.56 (10), p.2632-2635

International ed. in English, 2017

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Molecular Basis of SARS-CoV‑2 Infection and Rational Design of Potential Antiviral Agents: Modeling and Simulation Approaches

Journal of proteome research, 2020-11, Vol.19 (11), p.4291-4315

2020

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The role of solvation models on the computed absorption and emission spectra: the case of fireflies oxyluciferin

Physical chemistry chemical physics : PCCP, 2019-02, Vol.21 (8), p.4613-4623

2019

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Mechanical Activation of Forbidden Photoreactivity in Oxa-di-π-methane Rearrangement

Journal of organic chemistry, 2022-10, Vol.87 (19), p.12586-12595

2022

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An Algorithm Predicting the Optimal Mechanical Response of Electronic Energy Difference

Journal of chemical theory and computation, 2023-09, Vol.19 (18), p.6392-6401

2023

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Thermodynamics of the Interaction between the Spike Protein of Severe Acute Respiratory Syndrome Coronavirus‑2 and the Receptor of Human Angiotensin-Converting Enzyme 2. Effects of Possible Ligands

The journal of physical chemistry letters, 2020-11, Vol.11 (21), p.9272-9281

2020

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π‐Bridge Substitution in DASAs: The Subtle Equilibrium between Photochemical Improvements and Thermal Control

Chemistry : a European journal, 2021-03, Vol.27 (13), p.4420-4429

2021

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Atomistic-Level Description of the Covalent Inhibition of SARS-CoV-2 Papain-like Protease

International journal of molecular sciences, 2022-05, Vol.23 (10), p.5855

2022

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Interaction of a 1,3-Dicarbonyl Toxin with Ru(II)-Biimidazole Complexes for Luminescence Sensing: A Spectroscopic and Photochemical Experimental Study Rationalized by Time-Dependent Density Functional Theory Calculations

Inorganic chemistry, 2022-01, Vol.61 (1), p.328-337

2022

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Level of Theory and Solvent Effects on DASA Absorption Properties Prediction: Comparing TD-DFT, CASPT2 and NEVPT2

Materials, 2017-09, Vol.10 (9), p.1025

2017

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Fungal Light Emitter: Understanding Its Chemical Nature and pH-Dependent Emission in Water Solution

Journal of organic chemistry, 2020-04, Vol.85 (8), p.5503-5510

2020

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Simulation and Analysis of the Spectroscopic Properties of Oxyluciferin and Its Analogues in Water

Journal of chemical theory and computation, 2018-04, Vol.14 (4), p.2117-2126

2018

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Molecular Simulations with in-deMon2k QM/MM, a Tutorial-Review

Molecules (Basel, Switzerland), 2019-04, Vol.24 (9), p.1653

2019

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Photoreactivity Control Mediated by Molecular Force Probes in Stilbene

The journal of physical chemistry letters, 2019-03, Vol.10 (5), p.1063-1067

2019

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Simulating the Electronic Circular Dichroism Spectra of Photoreversible Peptide Conformations

Journal of chemical theory and computation, 2017-07, Vol.13 (7), p.3290-3296

2017

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E/Z Photochemical switches: syntheses, properties and applications

RSC advances, 2013-01, Vol.3 (18), p.6241

2013

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E/Z Molecular Photoswitches Activated by Two-Photon Absorption: Comparison between Different Families

Molecules (Basel, Switzerland), 2021-12, Vol.26 (23), p.7379

2021

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Chiral Hydrogen Bond Environment Providing Unidirectional Rotation in Photoactive Molecular Motors

The journal of physical chemistry letters, 2013-05, Vol.4 (9), p.1389-1396

2013

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From Light Absorption to Cyclization: Structure and Solvent Effects in Donor‐Acceptor Stenhouse Adducts

ChemPhotoChem, 2019-09, Vol.3 (9), p.866-873

2019

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The Puzzling Monopentamethylcyclopentadienyltitanium(III) Dichloride Reagent: Structure and Properties

Inorganic chemistry, 2019-04, Vol.58 (8), p.5314-5324

2019

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Reversible Light-Induced Dimerization of Secondary Face Azobenzene-Functionalized β‑Cyclodextrin Derivatives

Theoretical and Computational Photochemistry: Fundamentals, Methods, Applications and Synergy with Experimental Approaches

Modulating Efficiency and Color of Thermally Activated Delayed Fluorescence by Rationalizing the Substitution Effect

Mechanism and Scope of Phosphinidene Transfer from Dibenzo-7-phosphanorbornadiene Compounds

Role of RNA Guanine Quadruplexes in Favoring the Dimerization of SARS Unique Domain in Coronaviruses

Rational Design and Synthesis of Efficient Sunscreens To Boost the Solar Protection Factor

Molecular Basis of SARS-CoV‑2 Infection and Rational Design of Potential Antiviral Agents: Modeling and Simulation Approaches

The role of solvation models on the computed absorption and emission spectra: the case of fireflies oxyluciferin

Mechanical Activation of Forbidden Photoreactivity in Oxa-di-π-methane Rearrangement

An Algorithm Predicting the Optimal Mechanical Response of Electronic Energy Difference

Thermodynamics of the Interaction between the Spike Protein of Severe Acute Respiratory Syndrome Coronavirus‑2 and the Receptor of Human Angiotensin-Converting Enzyme 2. Effects of Possible Ligands

π‐Bridge Substitution in DASAs: The Subtle Equilibrium between Photochemical Improvements and Thermal Control

Atomistic-Level Description of the Covalent Inhibition of SARS-CoV-2 Papain-like Protease

Interaction of a 1,3-Dicarbonyl Toxin with Ru(II)-Biimidazole Complexes for Luminescence Sensing: A Spectroscopic and Photochemical Experimental Study Rationalized by Time-Dependent Density Functional Theory Calculations

Level of Theory and Solvent Effects on DASA Absorption Properties Prediction: Comparing TD-DFT, CASPT2 and NEVPT2

Fungal Light Emitter: Understanding Its Chemical Nature and pH-Dependent Emission in Water Solution

Simulation and Analysis of the Spectroscopic Properties of Oxyluciferin and Its Analogues in Water

Molecular Simulations with in-deMon2k QM/MM, a Tutorial-Review

Photoreactivity Control Mediated by Molecular Force Probes in Stilbene

Simulating the Electronic Circular Dichroism Spectra of Photoreversible Peptide Conformations

E/Z Photochemical switches: syntheses, properties and applications

E/Z Molecular Photoswitches Activated by Two-Photon Absorption: Comparison between Different Families

Chiral Hydrogen Bond Environment Providing Unidirectional Rotation in Photoactive Molecular Motors

From Light Absorption to Cyclization: Structure and Solvent Effects in Donor‐Acceptor Stenhouse Adducts

The Puzzling Monopentamethylcyclopentadienyltitanium(III) Dichloride Reagent: Structure and Properties

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