About my research
Paulo Ribeiro-Claro is a scientist specializing in "computational spectroscopy", combining vibrational spectroscopy and quantum chemistry to explore molecular and supramolecular structures. His research focuses on understanding intermolecular interactions, using advanced computational tools to reveal the fundamental properties of materials. With expertise in both theoretical and experimental techniques, Paulo Ribeiro-Claro aims to provide insights into the behavior of complex molecular systems, contributing to advancements in materials science and molecular chemistry.
All Stories
- Delving into Deep Eutectic Solvents with Vibrational Spectroscopy: A Comprehensive Review
Article
- Using Molecular Conformers in COSMO-RS to Predict Drug Solubility in Mixed Solvents
Article
- The importance of entropy in Deep Eutectic behaviour
Article
- Revisiting the Crystal Structure of PTF: A New Model Using Computational Spectroscopy
Article
- Understanding Intermolecular Interactions Using Neutrons
Article
- Revamping Chemistry Classes: Engaging Students with Active Learning, Gamification, and Group Tests
Article
- Pigments
Article
- A New Look at Egyptian Blue: Using Light and Neutrons to Understand This Ancient Pigment
Article
- How Changing a Chemical Chain Affects Plastic Properties: A Study on a New Type of Bio-Based Polymer
Article
- Textbook Example of Computational Spectroscopy: Advanced Simulations and Experiments Aligned
Article
- Unraveling the Mystery of Water in Green Solvents
Article
- Decoding 4DMAB Crystals: INS Spectroscopy and DFT Unveil Vibrational Dynamics
Article
- New Insights on the Vibrational Dynamics of 2-Methoxy-, 4-Methoxy- and 4-Ethoxy-Benzaldehyde from INS Spectra and Periodic DFT Calculations
Article
- Insulin
Article
- Padrões Cristalinos
- Understanding the Structure and Dynamics of Nanocellulose-Based Composites with Neutral and Ionic Poly(methacrylate) Derivatives Using Inelastic Neutron Scattering and DFT Calculations
Article
- Vibrational Dynamics of Crystalline 4-Phenylbenzaldehyde from INS Spectra and Periodic DFT Calculations
- Asymmetric Monomer, Amorphous Polymer? Structure–Property Relationships in 2,4-FDCA and 2,4-PEF
Article
- Poly(4-styrene sulfonic acid)/bacterial cellulose membranes: Electrochemical performance in a single-chamber microbial fuel cell
- Waterproof coats
Article
- Autumn Colours
Article
- Preformulation Studies of the γ-Cyclodextrin and Montelukast Inclusion Compound Prepared by Comilling
Article
- Vibrational dynamics of 4-fluorobenzaldehyde from periodic DFT calculations
Article
- 2019 - Ano Internacional da Tabela Periódica
- Fogo de artifício
- What a difference a methyl group makes – probing choline–urea molecular interactions through urea structure modification
- Understanding the vibrational spectra of crystalline isoniazid: Raman, IR and INS spectroscopy and solid-state DFT study
- Raman Spectroscopy for Faster and Accurate Detection of Microplastics
Article
- Espectro
- Espectroscopia Vibracional
- Exploring the Structure and Behavior of PEF: What Happens Inside the Plastic
Article
- Espectroscopia Rotacional
Article
- Hydrogen Bond Dynamics of Cellulose through Inelastic Neutron Scattering Spectroscopy
- Spectroscopy
- Astrochemistry - Molecules through starlight
- Conformational and vibrational reassessment of solid paracetamol
- Characterization of Microplastics by Raman Spectroscopy
- Inelastic neutron scattering study of reline: shedding light on the hydrogen bonding network of deep eutectic solvents
- A Comparative Analysis of Carrageenans Produced by Underutilized versus Industrially Utilized Macroalgae (Gigartinales, Rhodophyta)
- Studies on polymorph conversion in a new cyclodextrin inclusion compound
- Prémio Nobel da Química 2014
- A promoção e divulgação de Ciência como “tarefa nobre” de todos nós
- Effect of the Cation on the Interactions between Alkyl Methyl Imidazolium Chloride Ionic Liquids and Water
- Synthesis, Structural Elucidation, and Catalytic Properties in Olefin Epoxidation of the Polymeric Hybrid Material [Mo3O9(2-[3(5)-Pyrazolyl]pyridine)]n
- Multifunctional micro- and nanosized metal–organic frameworks assembled from bisphosphonates and lanthanides
- Modelling the luminescence of extended solids: an example of a highly luminescent MCM-41 impregnated with a Eu3+β-diketonate complex
- Intermolecular C–H⋯O interactions in cyclopentanone: An inelastic neutron scattering study
- Analysis of the microcrystalline inclusion compounds of triclosan with β-cyclodextrin and its tris-O-methylated derivative
- Analysis by Vibrational Spectroscopy of Seaweed Polysaccharides with Potential Use in Food, Pharmaceutical, and Cosmetic Industries
- Transposition of chirality from diphosphonate metal–organic framework precursors onto porous lanthanide pyrophosphates
- Engineering highly efficient Eu(iii)-based tri-ureasil hybrids toward luminescent solar concentrators
- Chloramphenicol·cyclodextrin inclusion compounds: co-dissolution and mechanochemical preparations and antibacterial action
- Effects of hydrogen-bond and cooperativity in the vibrational spectra of Luminol
- On the Relevance of Considering the Intermolecular Interactions on the Prediction of the Vibrational Spectra of Isopropylamine
- Exploring C–H···O hydrogen bonds in dihydrocoumarin from combined vibrational spectroscopy and DFT calculations
- On the Effects of Changing Gaussian Program Version and SCRF Defining Parameters: Isopropylamine as a Case Study
- Solid-state vibrational spectroscopic investigation of cocrystals and salt of indomethacin
- Structural Studies and Cytotoxicity of Trimethyl(ferrocenylmethyl)ammonium Iodide Encapsulated in β-Cyclodextrin
- 1,3,5-Tris(bromomethyl)benzene
- Inclusion of potassium 4,4′-biphenyldicarboxylate into β-cyclodextrin: the design and synthesis of an organic secondary building unit
- Chemistry and Catalytic Activity of Molybdenum(VI)-Pyrazolylpyridine Complexes in Olefin Epoxidation. Crystal Structures of Monomeric Dioxo, Dioxo-μ-oxo, and Oxodiperoxo Derivatives
- (R)-(1-Ammonioethyl)phosphonate
- Hydrogen‐Bond Dynamics of CH⋅⋅⋅O Interactions: The Chloroform⋅⋅⋅Acetone Case
- Tetrapyridinium μ-oxido-di-μ-sulfato-bis[chloridodioxidomolybdate(VI)]
- 3D–2D–0D Stepwise Deconstruction of a Water Framework Templated by a Nanoporous Organic–Inorganic Hybrid Host
- Tripyridiniumcis-tetrachloridodioxidomolybdate(VI) chloride
- Bis(μ-4-phenylpyridineN-oxide-κ2O:O)bis[bis(1,1,1,5,5,5-hexafluoropentane-2,4-dionato)copper(II)]
- Diaquabis(ethylenediamine-κ2N,N′)copper(II) bis(4-phenylbenzoate) 2.66-hydrate
- Crystal structure landscapes from combined vibrational spectroscopy and ab initio calculations: 4-(Dimethylamino)benzaldehyde
- The solid–liquid phase diagrams of binary mixtures of even saturated fatty acids differing by six carbon atoms
- Identification of selected seaweed polysaccharides (phycocolloids) by vibrational spectroscopy (FTIR-ATR and FT-Raman)
- Insights into phase stability of anhydrous/hydrate systems: a Raman‐based methodology
- The solid–liquid phase diagrams of binary mixtures of consecutive, even saturated fatty acids
- Hydrogen bonding in nitrofurantoin polymorphs: a computation‐assisted spectroscopic study
- A comparative analysis of phycocolloids produced by underutilized versus industrially utilized carrageenophytes (Gigartinales, Rhodophyta)
- Inclusion compounds of phenol derivatives with cyclodextrins: a combined spectroscopic and thermal analysis
- Structural and Photoluminescence Studies of a Europium(III) Tetrakis(β-diketonate) Complex with Tetrabutylammonium, Imidazolium, Pyridinium and Silica-Supported Imidazolium Counterions
- Spectroscopic and thermal studies on the inclusion of trans‐cinnamic acid and a number of its hydroxyl‐derivatives with α, β and γ‐cyclodextrins molecules
- Surface-enhanced Raman scattering of 5-fluorouracil adsorbed on silver nanostructures
- The solid–liquid phase diagrams of binary mixtures of consecutive, even saturated fatty acids: differing by four carbon atoms
- Surface enhanced Raman scattering of trans-3-hydroxycinnamic acid adsorbed on silver nanoparticles
- Effect of hydrogen bonding in the vibrational spectra of trans‐cinnamic acid
- MCM‐41 Derivatised with Pyridyl Groups and Its Use as a Support for Luminescent Europium(III) Complexes
- Synthesis, characterisation and luminescence properties of MCM-41 impregnated with an Eu3+ β-diketonate complex
- Pseudopolymorphic transitions of niclosamide monitored by Raman spectroscopy
- Vibrational Study on the Local Structure of Post‐Synthesis and Hybrid Mesoporous Materials: Are There Fundamental Distinctions?
- A Combined Theoretical−Experimental Study of the Inclusion of Niobocene Dichloride in Native and Permethylated β-Cyclodextrins
- Synthesis and catalytic properties in olefin epoxidation of dioxomolybdenum(vi) complexes bearing a bidentate or tetradentate salen-type ligand
- Probing Pseudopolymorphic Transitions in Pharmaceutical Solids using Raman Spectroscopy: Hydration and Dehydration of Theophylline
- New chloro and triphenylsiloxy derivatives of dioxomolybdenum(VI) chelated with pyrazolylpyridine ligands: Catalytic applications in olefin epoxidation
- Development of novel brush-type chiral stationary phases based on terpenoid selectors: HPLC evaluation and theoretical investigation of enantioselective binding interactions
- Synthesis and catalytic properties in olefin epoxidation of chiral oxazoline dioxomolybdenum(VI) complexes
- Computationally‐Assisted Approach to the Vibrational Spectra of Molecular Crystals: Study of Hydrogen‐Bonding and Pseudo‐Polymorphism
- Dioxomolybdenum(VI) modified mesoporous materials for the catalytic epoxidation of olefins
- Catalytic Properties of the Dioxomolybdenum Siloxide MoO2(OSiPh3)2 and its 2,2'-Bipyridine Adduct MoO2(OSiPh3)2(bpy)
- β-Cyclodextrin inclusion of europium(III) tris(β-diketonate)-bipyridine
- Modification of the luminescence properties of an Europium(III) Tris(β-diketonate) Complex by Inclusion in γ-cyclodextrin and 2,3,6-trimethyl-γ-cyclodextrin
- Immobilisation of methyltrioxorhenium on functionalised MCM-41
- Para-halogenated benzaldehyde molecules included in cyclodextrins: a combined spectroscopic and thermal analysis
- Experimental and Theoretical Study of the Encapsulation of a Linear Oligo(ferrocenylsilane) Trimer with β‐Cyclodextrin
- Inclusion complex formation of diferrocenyldimethylsilane with β-cyclodextrin
- Inclusion Complexation of Dimeric and Trimeric Oligo(ferrocenyldimethylsilanes) with γ-Cyclodextrin
- Highly Luminescent Tris(β-diketonate)europium(III) Complexes Immobilized in a Functionalized Mesoporous Silica
- Comment on vibrational spectral investigation on xanthine and its derivatives—theophylline, caffeine and theobromine
- Emission quantum yield of a europium(III) tris-β-diketonate complex bearing a 1,4-diaza-1,3-butadiene: Comparison with theoretical prediction
- C≡H ⋅s O Hydrogen Bonds in Small Ring Carbonyl Compounds: Vibrational Spectroscopy and Ab initio Calculations
- Investigation of europium(III) and gadolinium(III) complexes with naphthoyltrifluoroacetone and bidentate heterocyclic amines
- The Role of C–H···O Interactions in the Solid and Liquid‐Phase Structures of Methyltrioxo Rhenium
- RuII Complexes Incorporating Tetrathiamacrocycles: Synthesis and Conformational Analysis
- CH⋅⋅⋅O Hydrogen Bonds in Cyclohexenone Reveal the Spectroscopic Behavior of CH and CH Donors
- Structure–photoluminescence relationship in Eu(iii) β-diketonate-based organic–inorganic hybrids. Influence of the synthesis method: carboxylic acid solvolysis versus conventional hydrolysis
- C–H⋯O Hydrogen bonding in 4-phenyl-benzaldehyde: A comprehensive crystallographic, spectroscopic and computational study
- Synthesis and characterization of a manganese(II) acetonitrile complex supported on functionalized MCM-41
- Spectroscopic Studies of Europium(III) and Gadolinium(III) Tris‐β‐diketonate Complexes with Diazabutadiene Ligands
- Towards the understanding of the spectroscopic behaviour of the C–H oscillator in C–H⋯O hydrogen bonds: the effect of solvent polarity
- Coordination properties of 2-aminocyclopentene-1-dithiocarboxylic acid to transition metal ions as studied by ab initio calculations
- C—H···O hydrogen bonds in liquid cyclohexanone revealed by the νCO splitting and the νC–H blue shift
- Interactions of Omeprazole and Precursors withbeta-Cyclodextrin Host Molecules
- Strong Experimental Evidence of CH···O Hydrogen Bonds in Cyclopentanone: The Splitting of the ν(CO) Mode Revisited
- Use of FTIR, FT-Raman and 13C-NMR spectroscopy for identification of some seaweed phycocolloids
- Surface adsorption of 4,4′‐dithiodipyridine and 2,2′‐dithiodipyridine on silver nanoparticles
- Encapsulation of sodium nimesulide and precursors in β-cyclodextrin
- Experimental and Theoretical Evidence of CH⋅⋅⋅O Hydrogen Bonding in Liquid 4-Fluorobenzaldehyde
- Immobilisation of rhodium acetonitrile complexes in ordered mesoporous silica
- Encapsulation of Cyano(cyclopentadienyl) Complexes of Iron with β-cyclodextrin
- C–H⋯O bonded dimers in 2-methoxy-benzaldehyde studied by X-ray crystallography, vibrational spectroscopy, and ab initio calculations
- The effect of trimethylsilyl substituents on the ring-slippage of bis-indenyl-molybdenocene derivatives
- Synthesis and Characterization of Two Novel Large-Pore Crystalline Vanadosilicates
- Experimental and theoretical study of the interaction of molybdenocene dichloride (Cp2MoCl2) with β-cyclodextrin
- Evidence of C−H···O Hydrogen Bonds in Liquid 4-Ethoxybenzaldehyde by NMR and Vibrational Spectroscopies
- Interactions of Cationic and Neutral Molybdenum Complexes with β-Cyclodextrin Host Molecules
- Conformational study of α,2-dimethylstyrene: Raman and FT-IR spectra and ab initio calculations
- Effective core potential ab initio calculations on main group heptoxides and large silicate systems
- Ab initio calculations on some transition metal heptoxides by using effective core potentials
- Conformational equilibria for 3‐methylstyrene: Raman and FTIR spectra and ab initio calculations
- β-Cyclodextrin Complexes of Benzaldehyde, Vanillin and Cinnamaldehyde: A Raman Spectroscopic Study1
- Discovery of two rotational isomers of 4-methoxystyrene by laser-induced fluorescence in a supersonic jet
- Meta‐substituted styrene molecules included in cydodextrins: A Raman spectroscopic study
- Conformational equilibria for 2‐ and 3‐chlorostyrene: Raman and Fourier transform infrared spectra and ab initio calculations
- Vibration Wavenumbers of 2-Aminobenzotrifluoride in the Ground and S1 Electronic States from Its Infrared, Raman, and Supersonic Jet S1-S0 Fluorescence Spectra
- CF3-torsional potentials of 2-aminobenzotrifluoride in the S0 and S1 electronic states from fluorescence spectra in a supersonic jet
- Raman spectroscopic study of the conformational equilibrium of liquid 3‐fluorostyrene
- The molecular structure of 1,3-butadien-1-o1 and 1,3-butadien-2-o1: an ab initio SCF-MO study
- Relative Stability ofcis andtrans conformers of 2- and 3-fluorostyrene: An ab initio SCF-MO study
- Stable and less stable conformers of fluorobutadienes: an ab initio SCF-MO study
- Vibration wavenumbers of 3-aminobenzotrifluoride in the ground and S1 electronic states from its infrared, Raman, and supersonic jet S1-S0 fluorescence spectra
- Vibration wavenumbers of 4-aminobenzotrifluoride in the ground and S1 electronic states from its supersonic jet S1-S0 fluorescence, infrared, and Raman spectra
- CF3 torsional potentials in the S0 and S1 electronic states of 3-aminobenzotrifluoride
- CF3 torsional potentials and bending—torsion interaction in the S0 and S1 electronic states of 4-aminobenzotrifluoride
- The CH2Cl torsional barrier of benzyl chloride studied by gas-phase absorption spectroscopy and ab initio calculations
- Reorientation of methylbenzene molecules in the liquid phase: A comparative Raman band shape analysis
- Molecular motion and internal rotation in C6H5CHCl2 as studied by 13C relaxation data
- Vibrational spectra of C6H5CHCl2
- The individual CH bond as a Raman spectroscopic probe to the internal rotation of the CHCl2 Group in C6H5CHCl2