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List of works by Rui Fausto

Acetic acid dimers in a nitrogen matrix: Observation of structures containing the higher-energy conformer

scientific article

Acetic acid–water complex: The first observation of structures containing the higher-energy acetic acid conformer

An insight into methimazole phototautomerism: Central role of the thiyl radical and effect of benzo substitution

scholarly article by Elisa M. Brás & Rui Fausto published November 2018 in Journal of Molecular Structure

Bond-Breaking/Bond-Forming Reactions by Vibrational Excitation: Infrared-Induced Bidirectional Tautomerization of Matrix-Isolated Thiotropolone

scientific article published on 11 September 2020

Capture of an elusive nitrile ylide as an intermediate in isoxazole-oxazole photoisomerization.

scientific article

Comparative Matrix Isolation Infrared Spectroscopy Study of 1,3- and 1,4-Diene Monoterpenes (α-Phellandrene and γ-Terpinene)

scientific article published on 04 April 2011

Competitive Nitrogen versus Carbon Tunneling

scientific article published on 03 September 2019

Conformation-Changing Aggregation in Hydroxyacetone: A Combined Low-Temperature FTIR, Jet, and Crystallographic Study

scientific article published on 23 November 2011

Conformational Analysis of Octopamine and Synephrine in the Gas Phase ⬇️

scientific article published on May 30, 2013

Conformational Isomerization of Formic Acid by Vibrational Excitation at Energies below the Torsional Barrier

article

Conformational Isomerizations by Rotation around C-C or C-N Bonds: A Comparative Study on Matrix-Isolated Glycolamide and N-Hydroxyurea Excited with Near-IR Laser Light

scientific article published on 18 April 2019

Conformational Landscape, Photochemistry, and Infrared Spectra of Sulfanilamide ⬇️

scientific article published on January 23, 2013

Conformational Transformation in Squaric Acid Induced by Near-IR Laser Light ⬇️

scientific article published on June 13, 2013

Conformational behavior and tautomer selective photochemistry in low temperature matrices: the case of 5-(1H-tetrazol-1-yl)-1,2,4-triazole.

scientific article

Conformational behavior of dimethyl 5-methyl-1H,3H-pyrrolo[1,2-c][1,3]thiazole-6,7-dicarboxylate 2,2-dioxide isolated in low-temperature matrixes

scientific article published in May 2006

Conformational changes in matrix-isolated 6-methoxyindole: Effects of the thermal and infrared light excitations

scientific article published on 01 March 2016

Conformational control over an aldehyde fragment by selective vibrational excitation of interchangeable remote antennas.

scientific article

Conformational cooling dynamics in matrix-isolated 1,3-butanediol.

scientific article published in July 2009

Conformational flexibility, UV-induced decarbonylation, and FTIR spectra of 1-phenyl-1,2 propanedione in solid xenon and in the low temperature amorphous phase.

scientific article published in June 2005

Conformational isomerizations triggered by vibrational excitation of second stretching overtones

scientific article published on 11 November 2019

Conformational space and photochemistry of tyramine isolated in argon and xenon cryomatrixes

scientific article published on 26 September 2013

Conformational space and vibrational spectra of methyl 4-chloro-5-phenyl-1,3-oxazole-2-carboxylate.

scientific article published on September 2010

Conformational space of the Pseudosaccharin allyl ether 3-(allyloxy)-1,2-benzisothiazole 1,1-dioxide in gas phase and in rare gas matrices

scientific article published in February 2008

Conformational study of monomeric 2,3-butanediols by matrix-isolation infrared spectroscopy and DFT calculations.

scientific article

Conformational switching induced by near-infrared laser irradiation

scientific article

Conformers of β-aminoisobutyric acid probed by jet-cooled microwave and matrix isolation infrared spectroscopic techniques.

scientific article

Conformers, infrared spectrum and UV-induced photochemistry of matrix-isolated furfuryl alcohol.

scientific article

Controlled light-driven switching in 2-thiobenzimidazole

Cycloaddition of trifluoromethyl azafulvenium methides: synthesis of new trifluoromethylpyrrole-annulated derivatives

Cα−H Bond-Stretching Frequency in Alcohols as a Probe of Hydrogen-Bonding Strength: A Combined Vibrational Spectroscopic and Theoretical Study ofn-[1-D]Propanol

article

Dimer formation in nicotinamide and picolinamide in the gas and condensed phases probed by infrared spectroscopy.

scientific article published on 16 October 2008

Dissociation of ground and nσ* states of CF3Cl using multireference configuration interaction with singles and doubles and with multireference average quadratic coupled cluster extensivity corrections

scientific article published on 01 October 2007

Effects of Entangled IR Radiation and Tunneling on the Conformational Interconversion of 2-Cyanophenol

scientific article published on 14 May 2019

Effects of the matrix and intramolecular interactions on the stability of the higher-energy conformers of 2-fluorobenzoic acid

scientific article

Enhanced solid-state stability of amorphous ibrutinib formulations prepared by hot-melt extrusion

scientific article published on 16 February 2020

Experimental (IR/Raman and 1H/13C NMR) and Theoretical (DFT) Studies of the Preferential Conformations Adopted by l-Lactic Acid Oligomers and Poly(l-lactic acid) Homopolymer

scientific article published on 20 December 2011

FTIR Spectroscopic and Theoretical Study of the Photochemistry of Matrix-isolated Coumarin

article

Five isomers of monomeric cytosine and their interconversions induced by tunable UV laser light ⬇️

scientific article published on April 15, 2011

Formic acid dimers in a nitrogen matrix

scientific article published in January 2018

Formic and acetic acids in a nitrogen matrix: Enhanced stability of the higher-energy conformer

scientific article published on October 2010

Fourier Transform Infrared Spectroscopy Based Complementary Diagnosis Tool for Autism Spectrum Disorder in Children and Adolescents

scientific article published on 29 April 2020

Generation and Characterization of a 4π-Electron Three-Membered Ring 1H-Diazirine: An Elusive Intermediate in Nitrile Imine–Carbodiimide Isomerization

scientific article published on 28 March 2014

High Z′ Crystal Structure of a New Polymorph of a Thioimidazole Disulfide: Importance of Conformational Flexibility

Importance of entropy in the conformational equilibrium of phenylalanine: a matrix-isolation infrared spectroscopy and density functional theory study

scientific article published in February 2006

Infrared spectra and ultraviolet-tunable laser induced photochemistry of matrix-isolated phenol and phenol-d5.

scientific article

Internal Rotation in Propionic Acid: Near-Infrared-Induced Isomerization in Solid Argon

scientific article published on 01 April 2005

Low temperature Fourier transform infrared spectra and hydrogen bonding in polycrystalline uracil and thymine.

scientific article published in August 2004

Low temperature infrared spectroscopy study of pyrazinamide: from the isolated monomer to the stable low temperature crystalline phase.

scientific article published in January 2010

Low-temperature FTIR spectroscopic and theoretical study on an energetic nitroimine: dinitroammeline (DNAM).

scientific article published on 15 March 2008

Matrix Isolation Infrared Spectra and Photochemistry of Hydantoin

scientific article published on 22 January 2013

Matrix isolation FTIR spectroscopic and theoretical study of dimethyl sulfite.

scientific article published in April 2005

Matrix isolation and low temperature solid state FTIR spectroscopic study of alpha-furil.

scientific article published on 7 March 2006

Matrix isolation infrared spectroscopic and theoretical study of 1,1,1-trifluoro-2-chloroethane (HCFC-133a).

scientific article published in November 2013

Matrix isolation infrared spectroscopic study of 4-Pyridinecarboxaldehyde and of its UV-induced photochemistry.

scientific article

Matrix-Isolated Monomeric Tryptophan: Electrostatic Interactions as Nontrivial Factors Stabilizing Conformers

scientific article published on 24 March 2007

Matrix-isolated diglycolic anhydride: vibrational spectra and photochemical reactivity.

scientific article published on 14 October 2008

Matrix-isolation FT-IR spectra and theoretical study of dimethyl sulfate.

scientific article published in May 2005

Methyl 3-methyl-2H-azirine-2-carboxylate photochemistry studied by matrix-isolation FTIR and DFT calculations.

scientific article published in September 2006

Methylparaben isolated in solid argon: structural characterization and UV-induced conversion into methylparaben radical and isomeric ketenes.

scientific article published on 17 October 2013

Micro-Raman Spectroscopy and X-ray Diffraction Analyses of the Core and Shell Compartments of an Iron-Rich Fulgurite

scientific article published on 10 May 2022

Molecular Structure, Infrared Spectra, Photochemistry, and Thermal Properties of 1-Methylhydantoin

scientific article published on 29 July 2014

Molecular Structure, Infrared Spectrum, and Photochemistry of Squaric Acid Dimethyl Ester in Solid Argon

article

Molecular Structure, Vibrational Spectra and Photochemistry of 2-Methyl-2H-Tetrazol-5-Amine in Solid Argon

article

Molecular spectroscopy and molecular structure - Selected communications presented at the 1st International Turkish Congress on Molecular Spectroscopy (TURCMOS 2013)

scientific article published on 24 June 2015

Molecular structure and charge density analysis of p-methoxybenzoic acid (anisic acid)

Molecular structure, vibrational spectra, quantum chemical calculations and photochemistry of picolinamide and isonicotinamide isolated in cryogenic inert matrixes and in the neat low-temperature solid phases.

scientific article published on 11 December 2007

Near-IR laser generation of a high-energy conformer of L-alanine and the mechanism of its decay in a low-temperature nitrogen matrix

scientific article

Near-IR-induced, UV-induced, and spontaneous isomerizations in 5-methylcytosine and 5-fluorocytosine.

scientific article

Near-infrared in situ generation of the higher-energy trans conformer of tribromoacetic acid: Observation of a large-scale matrix-site changing mediated by conformational conversion.

scientific article published in January 2018

Near-infrared laser-induced generation of three rare conformers of glycolic acid.

scientific article

On the pyrolysis mechanism of 2-pyranones and 2-pyranthiones: thermally induced ground electronic state chemistry of pyran-2-thione

scientific article published in September 2005

Oxocomplexes of U(vi) with 8-hydroxyquinoline-5-sulfonate in solution: structural studies and photophysical behaviour.

scientific article

PLS-DA Model for the Evaluation of Attention Deficit and Hyperactivity Disorder in Children and Adolescents through Blood Serum FTIR Spectra

scientific article published on 3 June 2021

Photochemical Ring-Opening and Intramolecular Hydrogen Shift Reactions in Sulfur Analogues of α-Pyrone

scientific article published on 01 May 2006

Photochemical alpha-cleavage in pyran-2-thione: generation of aldehydethioketene and thioaldehydeketene photoproducts

scientific article published in April 2005

Photochemistry and Vibrational Spectra of Matrix-Isolated 5-Ethoxy-1-Phenyl-1H-Tetrazole

article

Photochemistry and vibrational spectra of matrix-isolated methyl 4-chloro-5-phenylisoxazole-3-carboxylate

scientific article

Photochemistry of 2-Formylphenylnitrene: A Doorway to Heavy-Atom Tunneling of a Benzazirine to a Cyclic Ketenimine

scientific article published on 7 November 2017

Photochemistry of 5-allyloxy-tetrazoles: steady-state and laser flash photolysis study.

scientific article

Photochromism of a Spiropyran in Low-Temperature Matrices: Unprecedented Bidirectional Switching between a Merocyanine and an Allene Intermediate

scientific article published in 2022

Photoisomerization and photochemistry of matrix-isolated 3-furaldehyde.

scientific article published on 5 November 2010

Photoisomerization of saccharin.

scientific article published on 18 March 2013

Photophysical studies on lanthanide(III) chelates conjugated to Pittsburgh compound B as luminescent probes targeted to Aβ amyloid aggregates

scientific article published on 23 September 2020

Photorotamerization of matrix-isolated acrylic acid revisited

scientific article published on 01 April 2011

Positive identification of UV-generated, non-hydrogen-bonded isomers of o-hydroxybenzaldehyde and o-hydroxyacetophenone.

scientific article published in May 2010

Prediction of 99mtc-biguanide complex structures and their interactions with biological molecules by molecular mechanics calculations

scientific article published on 01 January 1999

Preface

Preferred conformers and photochemical (lambda > 200 nm) reactivity of serine and 3,3-dideutero-serine in the neutral form.

scientific article published in June 2005

Preparation of Polycarbonate-ZnO Nanocomposite Films: Surface Investigation after UV Irradiation

scientific article published on 12 July 2022

Propiolic Acid in Solid Nitrogen: NIR- and UV-Induced cis → trans Isomerization and Matrix-Site-Dependent trans → cis Tunneling

scientific article published on 18 February 2019

Raman Spectroscopic and Chemometric Investigation of Lipid-Protein Ratio Contents of Soybean Mutants

scientific article published on 13 September 2019

Rotational isomerism in acetic acid: the first experimental observation of the high-energy conformer.

scientific article published in December 2003

Rotational isomerism of acetic acid isolated in rare-gas matrices: Effect of medium and isotopic substitution on IR-induced isomerization quantum yield and cis-->trans tunneling rate.

scientific article

Rotational isomerization of small carboxylic acids isolated in argon matrices: tunnelling and quantum yields for the photoinduced processes.

scientific article published in March 2005

Rotational isomers of lactic acid: first experimental observation of higher energy forms

S-H rotamerization via tunneling in a thiol form of thioacetamide

scientific article published on 05 July 2019

Selective conformational control by excitation of NH imino vibrational antennas

scientific article published on 08 November 2019

Sigmatropic rearrangements in 5-allyloxytetrazoles

scientific article published on 13 July 2011

Spontaneous self-association of adenine and uracil in polycrystals from low temperature FTIR spectra in the range below 1000 cm(-1).

scientific article published on 26 January 2005

Spontaneous tunneling and near-infrared-induced interconversion between the amino-hydroxy conformers of cytosine ⬇️

scientific article published on February 14, 2012

Structural Aspects of the Ortho Chloro- and Fluoro- Substituted Benzoic Acids: Implications on Chemical Properties

scientific article published on 23 October 2020

Structural and spectroscopic characterization of E- and Z-isomers of azobenzene.

scientific article published on 19 March 2014

Structural and vibrational characterisation of 3-amino-1-propanol a concerted SCF-MO ab initio, Raman and infrared (matrix isolation and liquid phase) spectroscopy study

article

Structure and UV-induced photochemistry of 2-furaldehyde dimethylhydrazone isolated in rare gas matrices.

scientific article published on 25 July 2012

Structure and vibrational spectra of α-hydroxy isobutyric acid in the crystalline and glassy phases and isolated in inert gas matrixesElectronic supplementary information (ESI) available: Predicted geometries for high energy conformers of HIBA (Tabl

article

Structure of isolated 1,4-butanediol: combination of MP2 calculations, NBO analysis, and matrix-isolation infrared spectroscopy.

scientific article published in May 2008

Study of Nα-benzoyl-L-argininate ethyl ester chloride, a model compound for poly(ester amide) precursors: X-ray diffraction, infrared and Raman spectroscopies, and quantum chemistry calculations

article

Synthesis and physicochemical characterizations of a new valence-mixed pyrophosphate: Cu 0.5 Zn 0.5 Fe 2 (P 2 O 7 ) 2

Synthesis, Structure, and Cytotoxicity of a New Sulphanyl-Bridged Thiadiazolyl-Saccharinate Conjugate: The Relevance of S⋅⋅⋅N Interaction

scientific article published on 28 December 2017

Synthesis, characterization and biodistribution of bisphosphonates Sm-153 complexes: correlation with molecular modeling interaction studies.

scientific article

Tautomers and UV-induced photoisomerization of a strongly intramolecularly H-bonded aromatic azo-dye: 1-(cyclopropyl)diazo-2-naphthol

scientific article published on 8 October 2013

The C??C internal rotation in ?-alkyl substituted carbonyls and thiocarbonyls: CH(CH3)2C(?X)YH (X,Y? O or S)

The Chapman-type rearrangement in pseudosaccharins: The case of 3-(methoxy)-1,2-benzisothiazole 1,1-dioxide

The Pyrolysis of Isoxazole Revisited: A New Primary Product and the Pivotal Role of the Vinylnitrene. A Low-Temperature Matrix Isolation and Computational Study

scientific article published on 26 October 2011

The Sariçiçek howardite fall in Turkey: Source crater of HED meteorites on Vesta and impact risk of Vestoids

scholarly article

The first experimental observation of the higher-energy trans conformer of trifluoroacetic acid

scholarly article by R.F.G. Apóstolo et al published December 2016 in Journal of Molecular Structure

Thermal and photoinduced control of relative populations of 4-methoxybenzaldehyde (p-anisaldehyde) conformers.

scientific article published in July 2010

Thermal study of simple amino-alcohol solutions.

scientific article published on April 2002

Thermally and vibrationally induced conformational isomerizations, infrared spectra, and photochemistry of gallic acid in low-temperature matrices

article

Thermally induced sigmatropic isomerization of pseudosaccharyl allylic ether.

scientific article published in April 2009

Thiabendazole and Thiabendazole-Formic Acid Solvate: A Computational, Crystallographic, Spectroscopic and Thermal Study

scientific article published on 06 July 2020

Trans- and cis-stilbene isolated in cryogenic argon and xenon matrices.

scientific article published on 24 October 2013

UV-Induced Amino → Imino Hydrogen-Atom Transfer in 1-Methylcytosine

scientific article published on 02 May 2012

UV-Induced Hydrogen-Atom Transfer in 3,6-Dithiopyridazine and in Model Compounds 2-Thiopyridine and 3-Thiopyridazine ⬇️

scientific article published on October 19, 2011

UV-Induced Unimolecular Photochemistry of Diketene Isolated in Cryogenic Inert Matrices

scientific article (publication date: 8 March 2012)

UV-induced conformational isomerization and photochemistry of 3-chloro-4-methoxybenzaldehyde in cryogenic inert matrices

scientific article published on 01 September 2019

UV-induced photochemistry of matrix-isolated 1-phenyl-4-allyl-tetrazolone.

scientific article published on 11 July 2007

UV-induced radical formation and isomerization of 4-methoxyindole and 5-methoxyindole

scientific article published on 07 October 2020

UV-induced transformations of matrix-isolated 6-azacytosine

article

UV-laser photochemistry of isoxazole isolated in a low-temperature matrix.

scientific article

UV-promoted radical formation, and near-IR-induced and spontaneous conformational isomerization in monomeric 9-methylguanine isolated in low-temperature Ar matrices

scientific article published on 01 October 2019

UV-tunable laser induced phototransformations of matrix isolated anethole.

scientific article

Ultraviolet-tunable laser induced phototransformations of matrix isolated isoeugenol and eugenol.

scientific article

Unusual photochemical C-N bond cleavage in the novel methyl 2-chloro-3-methyl-2H-azirine-2-carboxylate

scientific article published in July 2006

Using heavy atom rare gas matrix to control the reactivity of 4-methoxybenzaldehyde: A comparison with benzaldehyde

scientific article published on 01 April 2012

Vibrational Studies on Conformational Preferences of Terpinene Isomers in the Equilibrium Gas and Condensed Phases

article

Vibrationally Induced Conformational Isomerization and Tunneling in Pyrrole-2-Carboxylic Acid

scientific article published on 27 November 2020

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