Rui Fausto

Rui Fausto's AcademicInfluence.com Rankings

Rui Fausto

Chemistry

#4905

World Rank

#5999

Historical Rank

Organic Chemistry

#817

World Rank

#917

Historical Rank

chemistry Degrees

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Chemistry

Rui Fausto's Degrees

Bachelors Chemistry University of Lisbon
Masters Chemistry University of Porto
PhD Chemistry University of Coimbra

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Rui Fausto's Published Works

Number of citations in a given year to any of this author's works

Total number of citations to an author for the works they published in a given year. This highlights publication of the most important work(s) by the author

Published Works

Matrix-Isolation Infrared and Theoretical Studies of the Glycine Conformers (1998) (251)
Cis→trans conversion of formic acid by dissipative tunneling in solid rare gases: Influence of environment on the tunneling rate (2002) (132)
Vibrational spectra of acid and alkaline glycine salts (1998) (130)
Rotational isomerism in acetic acid: the first experimental observation of the high-energy conformer. (2003) (100)
Infrared spectra of pyrazine, pyrimidine and pyridazine in solid argon (2006) (97)
Recent experimental and computational advances in molecular spectroscopy (1993) (85)
Vibrational spectroscopy of cis- and trans-formic acid in solid argon (2003) (84)
A correlation between the proton stretching vibration red shift and the hydrogen bond length in polycrystalline amino acids and peptides. (2005) (79)
Synthesis, characterization and biodistribution of bisphosphonates Sm-153 complexes: correlation with molecular modeling interaction studies. (2002) (79)
Importance of entropy in the conformational equilibrium of phenylalanine: a matrix-isolation infrared spectroscopy and density functional theory study. (2006) (78)
FTIR spectroscopy structural analysis of the interaction between Lactobacillus kefir S-layers and metal ions (2011) (76)
Combined FTIR Matrix Isolation and Ab Initio Studies of Pyruvic Acid: Proof for Existence of the Second Conformer (2001) (76)
Formic and acetic acids in a nitrogen matrix: Enhanced stability of the higher-energy conformer. (2010) (75)
s-cis and s-trans Conformers of formic, thioformic and dithioformic acids. An ab initio study (1989) (73)
Conformational isomerization of formic acid by vibrational excitation at energies below the torsional barrier. (2003) (68)
Rotational isomerism in acrylic acid. A combined matrix-isolated IR, Raman and ab initio molecular orbital study (1995) (66)
Missing conformers. Comparative study of conformational cooling in cyanoacetic acid and methyl cyanoacetate isolated in low temperature inert gas matrixes (2003) (65)
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. (2004) (65)
Structure of isolated 1,4-butanediol: combination of MP2 calculations, NBO analysis, and matrix-isolation infrared spectroscopy. (2008) (63)
Self-Aggregation in Pyrrole: Matrix Isolation, Solid State Infrared Spectroscopy, and DFT Study (2004) (63)
Photochemistry and Vibrational Spectroscopy of the Trans and Cis Conformers of Acetic Acid in Solid Ar (2004) (62)
Conformational study of monomeric 2,3-butanediols by matrix-isolation infrared spectroscopy and DFT calculations. (2006) (62)
Five isomers of monomeric cytosine and their interconversions induced by tunable UV laser light. (2011) (59)
Internal rotation in propionic acid: near-infrared-induced isomerization in solid argon. (2005) (59)
A Matrix Isolation Spectroscopic and Quantum Chemical Study of Fumaric and Maleic Acid (2001) (58)
Conformational switching in pyruvic acid isolated in Ar and N₂ matrixes: spectroscopic analysis, anharmonic simulation, and tunneling. (2015) (58)
Conformational cooling dynamics in matrix-isolated 1,3-butanediol. (2009) (57)
Characterization of S-layer proteins of Lactobacillus by FTIR spectroscopy and differential scanning calorimetry (2009) (55)
Infrared and Raman spectroscopic characterization of the hydrogen-bonding network in l-serine crystal (2007) (55)
Stepwise conformational cooling towards a single isomeric state in the four internal rotors system 1,2-butanediol. (2006) (55)
Low-temperature solid-state FTIR study of glycine, sarcosine and N,N-dimethylglycine: observation of neutral forms of simple α-amino acids in the solid state (2003) (54)
Infrared-Induced Rotamerization of Oxalic Acid Monomer in Argon Matrix (2000) (53)
Spontaneous tunneling and near-infrared-induced interconversion between the amino-hydroxy conformers of cytosine. (2012) (53)
Vibrational spectrum and molecular structure of triphenylamine monomer: A combined matrix-isolation FTIR and theoretical study (2003) (51)
NIR-laser-induced selective rotamerization of hydroxy conformers of cytosine. (2010) (50)
The pyrolysis of isoxazole revisited: a new primary product and the pivotal role of the vinylnitrene. A low-temperature matrix isolation and computational study. (2011) (50)
Low temperature molecular spectroscopy (1996) (50)
Rotational isomerization of small carboxylic acids isolated in argon matrices: tunnelling and quantum yields for the photoinduced processes. (2005) (49)
Low temperature matrix-isolation and solid state vibrational spectra of tetrazole (2001) (47)
Near-IR laser generation of a high-energy conformer of L-alanine and the mechanism of its decay in a low-temperature nitrogen matrix. (2013) (47)
A concerted SCF-MO ab initio and vibrational spectroscopic study of the conformational isomerism in 2-aminoethanol (1999) (46)
Molecular structure, vibrational spectra and photochemistry of 2-methyl-2H-tetrazol-5-amine in solid argon. (2005) (45)
Molecular structure, vibrational spectra and photochemistry of 5-mercapto-1-methyltetrazole (2006) (45)
Low temperature FTIR spectroscopy and hydrogen bonding in cytosine polycrystals. (2004) (45)
Reactive vibrational excitation spectroscopy of formic acid in solid argon: Quantum yield for infrared induced trans→cis isomerization and solid state effects on the vibrational spectrum. (2003) (44)
A molecular mechanics force field for conformational analysis of simple acyl chlorides, carboxylic acids and esters (1986) (44)
Capture of an elusive nitrile ylide as an intermediate in isoxazole-oxazole photoisomerization. (2013) (44)
Infrared spectra and ultraviolet-tunable laser induced photochemistry of matrix-isolated phenol and phenol-d5. (2012) (44)
Dimer formation in nicotinamide and picolinamide in the gas and condensed phases probed by infrared spectroscopy. (2008) (44)
Conformational switching induced by near-infrared laser irradiation. (2009) (43)
Molecular structure and vibrational spectra of 2(5H)-furanone and 2(5H)-thiophenone isolated in low temperature inert matrix (2008) (43)
Low-temperature Fourier transform infrared spectra and hydrogen bonding in polycrystalline L-alanine. (2003) (43)
Conformational properties of trimethyl phosphate monomer (2005) (42)
Near-infrared laser-induced generation of three rare conformers of glycolic acid. (2014) (42)
Color polymorphism in organic crystals (2020) (41)
FTIR Spectroscopic and Theoretical Study of the Photochemistry of Matrix‐isolated Coumarin (2007) (40)
Structural and spectroscopic characterization of E- and Z-isomers of azobenzene. (2014) (39)
Matrix isolation FTIR and theoretical study of α-pyrone photochemistry (2004) (39)
A Critical Assessment of Classical and Semi-Classical Models for Electron Transfer Reactions in Solution (1998) (39)
Chirality influence on the aggregation of methyl mandelate (2010) (37)
Infrared-induced conformational interconversion in carboxylic acids isolated in low-temperature rare-gas matrices (2004) (37)
Conformational Analysis and Near-Infrared-Induced Rotamerization of Malonic Acid in an Argon Matrix (2000) (36)
IR-Induced Photoisomerization of Glycolic Acid Isolated in Low-Temperature Inert Matrices (2004) (36)
Matrix-isolated monomeric tryptophan: electrostatic interactions as nontrivial factors stabilizing conformers. (2007) (36)
Evidence of a Nitrene Tunneling Reaction: Spontaneous Rearrangement of 2-Formyl Phenylnitrene to an Imino Ketene in Low-Temperature Matrixes. (2016) (36)
Infrared spectra and photochemistry of matrix-isolated pyrrole-2-carbaldehyde. (2010) (36)
UV-laser photochemistry of isoxazole isolated in a low-temperature matrix. (2012) (34)
Identification of Serine Conformers by Matrix-Isolation IR Spectroscopy Aided by Near-Infrared Laser-Induced Conformational Change, 2D Correlation Analysis, and Quantum Mechanical Anharmonic Computations. (2015) (34)
Genesis of rare molecules using light-induced reactions of matrix-isolated tetrazoles (2014) (34)
Preferred conformers and photochemical (lambda > 200 nm) reactivity of serine and 3,3-dideutero-serine in the neutral form. (2005) (34)
Synthesis and structure of novel benzisothiazole-tetrazolyl derivatives for potential application as nitrogen ligands (2009) (33)
Vibrational spectra (FT-IR, Raman and MI-IR) of α- and β-alanine (1997) (33)
Matrix isolation FTIR spectroscopic and theoretical study of methyl lactate (2004) (33)
Three conformers of 2-furoic acid: structure changes induced with near-IR laser light. (2015) (32)
Tetrazole acetic acid: tautomers, conformers, and isomerization. (2014) (31)
Thermal study of simple amino-alcohol solutions. (2002) (31)
Calpha-H bond-stretching frequency in alcohols as a probe of hydrogen-bonding strength: a combined vibrational spectroscopic and theoretical study of n-[1-D]propanol. (2005) (31)
Low temperature infrared spectroscopy study of pyrazinamide: from the isolated monomer to the stable low temperature crystalline phase. (2010) (30)
Conformational transformation in squaric acid induced by near-IR laser light. (2013) (30)
The Quest for Carbenic Nitrile Imines: Experimental and Computational Characterization of C-Amino Nitrile Imine (2015) (30)
Near-IR-induced, UV-induced, and spontaneous isomerizations in 5-methylcytosine and 5-fluorocytosine. (2014) (30)
Conformational and vibrational spectroscopic analysis of CHCl2COX and CCl3COX (X = Cl, OH, OCH3) (1986) (30)
Conformational isomerism in methyl cyanoacetate: A combined matrix-isolation infrared spectroscopy and molecular orbital study (2001) (29)
First experimental evidence of the third conformer of glycolic acid: combined matrix isolation, FTIR and theoretical study (2004) (29)
Rotational isomers of lactic acid: first experimental observation of higher energy forms (2004) (29)
Competitive nitrogen versus carbon tunneling. (2019) (29)
Conformational analysis and trends in carbonyl stretching frequencies of CClH2COCl, CClH2COOH and CClH2COOCH3: a molecular mechanics and vibrational spectroscopic study (1986) (29)
Photochemistry of 2-Formylphenylnitrene: A Doorway to Heavy-Atom Tunneling of a Benzazirine to a Cyclic Ketenimine. (2017) (28)
Matrix isolation FTIR and molecular orbital study of E and Z acetaldoxime monomers (2002) (28)
Vibrational analysis and structural implications of H-bonding in isolated and aggregated 2-amino-1-propanol: a study by MI-IR and Raman spectroscopy and molecular orbital calculations (2000) (28)
A comparative ab initio study of methyl formate, methyl thiolformate and methyl thionoformate (1987) (28)
Bonding in carbonyl and thiocarbonyl compounds: an ab initio charge density study of H2CX and HC(X)YH (X,Y O or S) (1994) (27)
FTIR studies of hydrogen bonding between α,β-unsaturated esters and alcohols (1996) (27)
Bond-shift isomers: the co-existence of allenic and propargylic phenylnitrile imines. (2015) (27)
Structures and vibrational spectra of CH3OCH2CH2OH: the hydrogen-bonded conformers (1994) (27)
UV-induced amino → imino hydrogen-atom transfer in 1-methylcytosine. (2012) (26)
Molecular structure and properties of thioacetic acid (1990) (26)
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. (2000) (25)
A combined matrix-isolation infrared spectroscopy and MO study of 1-amino-2-propanol (2001) (25)
Investigation of the structure of the columnar liquid-crystalline phase of copper(II) carboxylates. An FTIR spectroscopic study (1994) (25)
Conformational stability for methyl acrylate: a vibrational spectroscopic and ab initio MO study (1991) (25)
Photochemistry of 1-phenyl-tetrazolone isolated in solid argon (2006) (24)
Conformational Switching by Vibrational Excitation of a Remote NH Bond. (2015) (24)
4,6-Dimethyl-α-pyrone: a matrix isolation study of the photochemical generation of conjugated ketene, Dewar valence isomer and 1,3-dimethyl-cyclobutadiene (2004) (24)
Infrared spectrum and UV-induced photochemistry of matrix-isolated 5-methoxy-1-phenyl-1H-tetrazole (2006) (24)
Low-temperature infrared spectra and hydrogen bonding in polycrystalline DL-serine and deuterated derivatives (2006) (24)
Diels−Alder Reactions of Acyclic 2-Azadienes: A Semiempirical Molecular Orbital Study (1998) (24)
The high energy s-trans conformers of CH3COOH and CH3COOCH3: a molecular mechanics and vibrational study of CH3COCl, CH3COOH and CH3COOCH3 (1986) (24)
Generation and characterization of a 4π-electron three-membered ring 1H-diazirine: An elusive intermediate in nitrile imine-carbodiimide isomerization. (2014) (23)
Matrix isolation FTIR spectroscopic and theoretical study of dimethyl sulfite. (2005) (23)
Low temperature Fourier transform infrared spectra and hydrogen bonding in polycrystalline uracil and thymine. (2004) (23)
Conformational behavior and tautomer selective photochemistry in low temperature matrices: the case of 5-(1H-tetrazol-1-yl)-1,2,4-triazole. (2011) (23)
Photochemistry and vibrational spectra of matrix-isolated 5-ethoxy-1-phenyl-1H-tetrazole. (2007) (23)
Coordination aspects in Schiff bases cocrystals (2018) (22)
Hydrogen atom transfer reactions in thiophenol: photogeneration of two new thione isomers. (2015) (22)
Cycloaddition of trifluoromethyl azafulvenium methides: synthesis of new trifluoromethylpyrrole-annulated derivatives (2010) (22)
Matrix-isolation FT-IR spectra and theoretical study of dimethyl sulfate. (2005) (22)
Ab initio structural and conformational studies of HCSSH, CH3CSSH and HCSSCH3 (1987) (22)
Photoisomerization and photochemistry of matrix-isolated 3-furaldehyde. (2010) (21)
UV-induced photoisomerization of maleic hydrazide (2012) (21)
Comparative matrix isolation infrared spectroscopy study of 1,3- and 1,4-diene monoterpenes (α-phellandrene and γ-terpinene). (2011) (21)
Conformational landscape, photochemistry, and infrared spectra of sulfanilamide. (2013) (21)
Conformers, infrared spectrum and UV-induced photochemistry of matrix-isolated furfuryl alcohol. (2012) (21)
Conformational cooling and conformation selective aggregation in dimethyl sulfite isolated in solid rare gases (2006) (21)
Molecular structure, infrared spectra, and photochemistry of isoniazid under cryogenic conditions. (2009) (20)
Molecular structure of nitrogen-linked methyltetrazole-saccharinates (2012) (20)
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. (2012) (20)
An Infrared Spectroscopic Study of Crystalline Copper (II) Propionate and Butyrate (1994) (20)
Photochemistry of 5-allyloxy-tetrazoles: steady-state and laser flash photolysis study. (2008) (20)
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. (2008) (20)
Tautomer selective photochemistry in 1-(tetrazol-5-yl)ethanol. (2010) (20)
UV-induced isomerization of (E)-crotonic acid. Combined matrix-isolated IR and ab initio MO study (1995) (19)
Conformation-changing aggregation in hydroxyacetone: a combined low-temperature FTIR, jet, and crystallographic study. (2011) (19)
Tautomers and UV-induced photoisomerization of a strongly intramolecularly H-bonded aromatic azo-dye: 1-(cyclopropyl)diazo-2-naphthol. (2013) (19)
Conformational Changes in Thiazole-2-carboxylic Acid Selectively Induced by Excitation with Narrowband Near-IR and UV Light. (2016) (19)
The Sariçiçek howardite fall in Turkey: Source crater of HED meteorites on Vesta and impact risk of Vestoids (2019) (19)
Spectroscopic characterization of α- and γ-pyrones and their substituted 4-hydroxy and 4-methoxy derivatives: an integrated infrared, photophysical and theoretical study (2001) (19)
Effects of Entangled IR Radiation and Tunneling on the Conformational Interconversion of 2-Cyanophenol. (2019) (19)
Conformational Behavior of Cyanoacetic Acid: A Combined Matrix Isolation Fourier Transform Infrared Spectroscopy and Theoretical Study (2003) (18)
Thermal and photoinduced control of relative populations of 4-methoxybenzaldehyde (p-anisaldehyde) conformers. (2010) (18)
UV-induced unimolecular photochemistry of 2(5H)-furanone and 2(5H)-thiophenone isolated in low temperature inert matrices (2009) (18)
Photochemistry and vibrational spectra of matrix-isolated methyl 4-chloro-5-phenylisoxazole-3-carboxylate. (2011) (18)
A molecular orbital study on the conformational properties of dopamine [1,2-benzenediol-4(2-aminoethyl)]and dopamine cation (1999) (17)
Vibrational spectra and structure of 1-phenyltetrazole and 5-chloro-1-phenyltetrazole (2002) (17)
The CαC internal rotation in α‐alkyl substituted carbonyls and thiocarbonyls: CH(CH3)2C(X)YH (X, Y O or S) (1991) (17)
Effect of cholesterol-poly(N,N-dimethylaminoethyl methacrylate) on the properties of stimuli-responsive polymer liposome complexes. (2013) (17)
Double-Proton-Transfer Processes in Dithiooxamide: UV-Induced Dithione → Dithiol Reaction and Ground-State Dithiol → Dithione Tunneling (2004) (17)
The Raman spectra of serine and 3,3-dideutero-serine in aqueous solution (2007) (17)
MOLECULAR STRUCTURE AND CHARGE DENSITY ANALYSIS OF P-METHOXYBENZOIC ACID (ANISIC ACID) (1997) (17)
Positive identification of UV-generated, non-hydrogen-bonded isomers of o-hydroxybenzaldehyde and o-hydroxyacetophenone. (2010) (17)
Hydrogen bonding involving α,β-unsaturated carboxylic esters and substituted phenols: an infrared spectroscopic study (1991) (17)
A molecular mechanics force field for conformational analysis of alkanethiols and thioethers (1987) (17)
Entropy effects in conformational distribution and conformationally dependent UV-induced photolysis of serine monomer isolated in solid argon (2006) (16)
Photoisomerization of saccharin. (2013) (16)
Biological Applications of Macrocyclic Schiff Base Ligands and Their Metal Complexes: A Survey of the Literature (2005–2019) (2020) (16)
UV-induced hydrogen-atom transfer in 3,6-dithiopyridazine and in model compounds 2-thiopyridine and 3-thiopyridazine. (2011) (16)
Conformers of β-aminoisobutyric acid probed by jet-cooled microwave and matrix isolation infrared spectroscopic techniques. (2013) (16)
Conformational study of sarcosine as probed by matrix-isolation FT-IR spectroscopy and molecular orbital calculations (2003) (16)
Conformational space and photochemistry of alpha-terpinene. (2010) (16)
Conformers of Kojic Acid and Their Near-IR-Induced Conversions: Long-Range Intramolecular Vibrational Energy Transfer. (2016) (16)
Photochemical Ring-Opening Reaction in 2(1H)-Pyrimidinones: A Matrix Isolation Study (2003) (16)
Low temperature FT-IR and molecular orbital study of N,N-dimethylglycine methyl ester: Proof for different ground conformational states in gas phase and in condensed media (2003) (16)
Thermal decomposition of allantoin as probed by matrix isolation FTIR spectroscopy (2009) (16)
Dissociation of ground and nsigma* states of CF3Cl using multireference configuration interaction with singles and doubles and with multireference average quadratic coupled cluster extensivity corrections. (2007) (15)
Exploring saccharinate-tetrazoles as selective Cu(II) ligands: structure, magnetic properties and cytotoxicity of copper(II) complexes based on 5-(3-aminosaccharyl)-tetrazoles (2016) (15)
The first experimental observation of the higher-energy trans conformer of trifluoroacetic acid (2016) (15)
Infrared spectra of methyl isocyanate isolated in Ar, Xe and N2 matrices (2010) (15)
Methyl 3-methyl-2H-azirine-2-carboxylate photochemistry studied by matrix-isolation FTIR and DFT calculations. (2006) (15)
Conformers, vibrational spectra and infrared-induced rotamerization of dichloroacetic acid in argon and krypton matrices (1993) (15)
Low temperature polymorphism in 3-amino-1-propanol (2003) (15)
Matrix-isolation study and ab initio calculations of the structure and spectra of hydroxyacetone. (2008) (15)
UV-induced photochemistry of matrix-isolated 1-phenyl-4-allyl-tetrazolone. (2007) (15)
A molecular mechanics force field for conformational analysis of aliphatic acyclic amines (1990) (15)
Sigmatropic rearrangements in 5-allyloxytetrazoles. (2011) (15)
Ab initio structural and conformational studies of thioacetone and thiopropionaldehyde (1988) (14)
Structural and vibrational characterization of methyl glycolate in the low temperature crystalline and glassy states (2000) (14)
Enhanced Solid-State Stability of Amorphous Ibrutinib Formulations Prepared by Hot-Melt Extrusion. (2020) (14)
Matrix-isolation FT-IR spectra and molecular orbital calculations on neutral N,N-dimethylglycine (2003) (14)
Photoisomerization reactions of 4-methoxy- and 4-hydroxy-6-methyl-α-pyrones: An experimental matrix isolation and theoretical density functional theory study (2003) (14)
On the Photochemistry of 1,2‐Benzisoxazole: Capture of Elusive Spiro‐2H‐azirine and Ketenimine Intermediates (2016) (14)
UV-Induced unimolecular photochemistry of diketene isolated in cryogenic inert matrices. (2012) (14)
Quinolone-Hydroxyquinoline Tautomerism in Quinolone 3-Esters. Preserving the 4-Oxoquinoline Structure To Retain Antimalarial Activity. (2015) (14)
Molecular structures of cis- and trans-S-ethyl thiocrotonate. A combined vibrational spectroscopic and ab initio SCF-MO study (1994) (13)
Photoinduced transformation of matrix-isolated methyl 2-pyrone-3-carboxylate into methyl 2-pyrone-5-carboxylate via intramolecular hydrogen shift in open-ring aldehyde–ketene (2008) (13)
Matrix-isolation and solid state low temperature FT-IR study of 2,3-butanedione (diacetyl) (2003) (13)
Molecular structure and infrared spectra of dimethyl malonate: A combined quantum chemical and matrix-isolation spectroscopic study (2002) (13)
The CH3CH2⊖ internal rotation in thiopropionic acid as studied by ab initio SCF-MO method (1990) (13)
Molecular structure and infrared spectra of the monomeric 3-(methoxy)-1,2-benzisothiazole 1,1-dioxide (methyl pseudosaccharyl ether) (2008) (13)
Heavy-Atom Tunneling Through Crossing Potential Energy Surfaces: Cyclization of a Triplet 2-Formylarylnitrene to a Singlet 2,1-Benzisoxazole. (2020) (13)
Vibrational spectroscopy and ab initio MO study of the molecular structure and vibrational spectra of α- and γ-pyrones (2001) (13)
Photochemical ring-opening and intramolecular hydrogen shift reactions in sulfur analogues of alpha-pyrone. (2006) (13)
Structure and Photochemistry of N-Salicylidene-p-carboxyaniline Isolated in Solid Argon. (2015) (13)
Trans- and cis-stilbene isolated in cryogenic argon and xenon matrices. (2015) (13)
Effects of the matrix and intramolecular interactions on the stability of the higher-energy conformers of 2-fluorobenzoic acid. (2017) (12)
On the pyrolysis mechanism of 2-pyranones and 2-pyranthiones: thermally induced ground electronic state chemistry of pyran-2-thione. (2005) (12)
Structure and photochemical behaviour of 3-azido-acrylophenones: a matrix isolation infrared spectroscopy study (2011) (12)
Structural investigation of nitrogen-linked saccharinate–tetrazole (2011) (12)
Bond-Breaking/Bond-Forming Reactions by Vibrational Excitation: Infrared-Induced Bidirectional Tautomerization of Matrix-Isolated Thiotropolone. (2020) (12)
Localized electron polarization in a substrate analog binding to the active site of enoyl‐CoA hydratase: Raman spectroscopic and conformational analyses of rotamers of hexadienoyl thiolesters (1995) (12)
Matrix isolation infrared spectra and photochemistry of hydantoin. (2013) (12)
Matrix-Isolation FTIR Spectroscopy of Benzil: Probing the Flexibility of the C−C Torsional Coordinate (2004) (12)
Ultraviolet-tunable laser induced phototransformations of matrix isolated isoeugenol and eugenol. (2012) (12)
Molecular structure and vibrational spectra of methyl glycolate and methyl α-hydroxy isobutyrate ☆ (1999) (12)
Kinetically unstable 2–isocyanophenol isolated in cryogenic matrices: Vibrational excitation, conformational changes and spontaneous tunneling (2020) (12)
Characterization of Slayer proteins of Lactobacillus by FTIR spectroscopy and differential scanning calorimetry (2009) (11)
UV-induced photochemistry of methyl coumalate (methyl 2-pyrone-5-carboxylate) isolated in low-temperature inert matrices (2006) (11)
Elucidation of the conformational properties of N-formylglycine dithio acid by ab initio SCF-MO calculations (1991) (11)
Unusual photochemical C-N bond cleavage in the novel methyl 2-chloro-3-methyl-2H-azirine-2-carboxylate. (2006) (11)
Conformational Changes in Cryogenic Matrices (2011) (11)
Molecular structure, infrared spectra, photochemistry, and thermal properties of 1-methylhydantoin. (2014) (11)
Photoisomerization of azobenzenes isolated in cryogenic matrices. (2016) (11)
Structure and photochemistry of a saccharyl thiotetrazole. (2015) (11)
The low temperature crystalline and glassy states of methyl α-hydroxy-isobutyrate (2001) (11)
Interaction of nicotinamide and picolinamide with phosphatidylcholine and phosphatidylethanolamine membranes: a combined approach using dipole potential measurements and quantum chemical calculations. (2009) (11)
Conformational flexibility, UV-induced decarbonylation, and FTIR spectra of 1-phenyl-1,2 propanedione in solid xenon and in the low temperature amorphous phase. (2005) (11)
A molecular mechanics force field for conformational analysis of simple thiocarbonyl compounds (1989) (11)
Self-assembled diphenylalanine peptide microtubes covered by reduced graphene oxide/spiky nickel nanocomposite: An integrated nanobiomaterial for multifunctional applications (2018) (11)
4-Halo-1,3-oxazoles: Unambiguous structural assignment of 2-halo-2-benzoyl-2H-azirine-3-carboxylates thermal ring expansion products (2009) (11)
Crystal and molecular structure of DL-serine hydrochloride studied by X-ray diffraction, low-temperature Fourier transform infrared spectroscopy and DFT(B3LYP) calculations. (2008) (10)
Photochemistry of 1- and 2-Methyl-5-aminotetrazoles: Structural Effects on Reaction Pathways. (2016) (10)
Structural, Morphological, Raman, and Mössbauer Studies on (La0.8Ca0.2)1−xBixFeO3 (x = 0.0, 0.1, and 0.2) Compounds (2018) (10)
Matrix isolation infrared spectroscopic and theoretical study of 1,1,1-trifluoro-2-chloroethane (HCFC-133a). (2013) (10)
Conformational changes in matrix-isolated 6-methoxyindole: Effects of the thermal and infrared light excitations. (2016) (10)
Infrared Spectrum and UV-Induced Photochemistry of Matrix-Isolated 5-Hydroxyquinoline. (2015) (10)
Vibrational spectra and structure of methyl trans-crotonate (1991) (10)
High Z′ Crystal Structure of a New Polymorph of a Thioimidazole Disulfide: Importance of Conformational Flexibility (2018) (10)
An infrared and raman spectroscopic study of crystalline trans-crotonic acid (1996) (10)
Conformational preferences of 3,4-dihydroxyphenylacetic acid (DOPAC). (2015) (10)
Amino→imino tautomerization upon in vacuo sublimation of 2-methyltetrazole-saccharinate as probed by matrix isolation infrared spectroscopy. (2013) (10)
Near-infrared and ultraviolet induced isomerization of crotonic acid in N2 and Xe cryomatrices: first observation of two high-energy trans C-O conformers and mechanistic insights. (2014) (10)
Conformers, vibrational spectra and laser-induced rotamerization of CH2ClCOOH (1993) (10)
Molecular structure of methyl acrylate: the high energy s-trans-(CO) conformer (1993) (10)
Formic acid dimers in a nitrogen matrix. (2018) (9)
Conformational and structural analysis of 2-allyl-1,2-benzisothiazol-3(2H)-one 1,1-dioxide as probed by matrix-isolation spectroscopy and quantum chemical calculations (2009) (9)
Substituent effects on the photolysis of methyl 2-carboxylate substituted aliphatic 2H-azirines (2007) (9)
Molecular structure and infrared spectra of dimethyl fumarate (2002) (9)
Photochemistry of 3-amino-1,2-benzisoxazole: unexpected photoisomerization of an amino-spiro-2H-azirine to a 1H-diazirine (2016) (9)
5-Methylhydantoin: From Isolated Molecules in a Low-Temperature Argon Matrix to Solid State Polymorphs Characterization. (2017) (9)
S-H rotamerization via tunneling in a thiol form of thioacetamide. (2019) (9)
Intermolecular cycloaddition of nonstabilized azomethine ylides generated from 1,3-thiazolidine-4-carboxylic acids: synthesis of 5,7a-dihydro-1H,3H-pyrrolo[1,2-c]thiazoles (2006) (9)
Methylparaben isolated in solid argon: structural characterization and UV-induced conversion into methylparaben radical and isomeric ketenes. (2013) (9)
Photochemical reactivity of matrix-isolated monomeric carboxylic acids (2001) (9)
Conformational analysis of carbonyl and thiocarbonyl ethyl esters: The HC(X) (X, Y = O or S) internal rotation (1992) (9)
Atomic charges and charge fluxes in cis and trans C2H2X2 (X = F, Cl): an ab-initio study. (1991) (9)
Thermally induced sigmatropic isomerization of pseudosaccharyl allylic ether. (2009) (9)
Low-temperature FTIR spectroscopic and theoretical study on an energetic nitroimine: dinitroammeline (DNAM). (2008) (9)
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. (2018) (9)
Structure and vibrational spectra of α-hydroxy isobutyric acid in the crystalline and glassy phases and isolated in inert gas matrixes (2002) (9)
First observation of Chapman rearrangement of a pseudosaccharyl ether in the solid state: the thermal isomerization of 3-(methoxy)-1,2-benzisothiazole 1,1-dioxide revisited (2008) (8)
Spontaneous self-association of adenine and uracil in polycrystals from low temperature FTIR spectra in the range below 1000 cm(-1). (2005) (8)
Matrix-isolated diglycolic anhydride: vibrational spectra and photochemical reactivity. (2008) (8)
Thermally and vibrationally induced conformational isomerizations, infrared spectra, and photochemistry of gallic acid in low-temperature matrices. (2016) (8)
Switching on H-Tunneling through Conformational Control. (2021) (8)
Conformational control over an aldehyde fragment by selective vibrational excitation of interchangeable remote antennas. (2018) (8)
Conformation, structure, quadrupole coupling constants and van der Waals potential energy surface of dichloromethane–Ar (2010) (8)
Thermoanalytical study of Nα-benzoyl-l-argininate ethyl ester chloride (2012) (8)
Hydrogen Bonding Between Substituted Phenols and CH3COOCH3 or CH2CICOOCH3: An FTIR Spectroscopic Study (1993) (8)
Light induced reactions in cryogenic matrices (2011) (8)
Using heavy atom rare gas matrix to control the reactivity of 4-methoxybenzaldehyde: a comparison with benzaldehyde. (2012) (8)
Matrix-isolation FTIR, theoretical structural analysis and reactivity of amino-saccharins: N-(1,1-dioxo-1,2-benzisothiazol-3-yl)-N-methyl amine and -N,N-dimethyl amine (2009) (8)
Strong impact of LiNbO3 fillers on local electromechanical and electrochemical properties of P(VDF-TrFe) polymer disclosed via scanning probe microscopy (2019) (7)
Fluorescence spectroscopy and binding: getting it right☆ (2014) (7)
Calculation of vibrational frequencies of sulphur compounds using semiempirical molecular orbital methods (AM1, PM3, MNDO) (1994) (7)
An FT-IR spectroscopic study of the crystalline and columnar liquid-crystalline phases of copper (II) carboxylates (1995) (7)
Synthesis of Thieno[2,3‐d]pyrimidines via Microwave‐Assisted Thermolysis of 1‐(Thiophene‐2‐yl)‐1H‐tetrazoles (2016) (7)
UV-Induced Photochemistry of 1,3-Benzoxazole, 2-Isocyanophenol, and 2-Cyanophenol Isolated in Low-Temperature Ar Matrixes. (2021) (7)
Structural and spectroscopic characterization of the second polymorph of 1-methylhydantoin (2017) (7)
Rotational Isomerism in CH3CH2C(:S)SR (R = CH3, CH2CH3): a Combined Vibrational Spectroscopic and ab Initio Study (1994) (7)
Matrix isolation infrared spectroscopic study of 4-Pyridinecarboxaldehyde and of its UV-induced photochemistry. (2017) (7)
An electronic and vibrational study of the cyclopropenyl ion and its fluoroderivatives (1995) (7)
Experimental Evidence of Long-Range Intramolecular Vibrational Energy Redistribution through Eight Covalent Bonds: NIR Irradiation Induced Conformational Transformation of E-Glutaconic Acid. (2017) (7)
Acetic acid dimers in a nitrogen matrix: Observation of structures containing the higher-energy conformer. (2015) (7)
Conformational space of the Pseudosaccharin allyl ether 3-(allyloxy)-1,2-benzisothiazole 1,1-dioxide in gas phase and in rare gas matrices. (2008) (7)
Narrowband NIR-Induced In Situ Generation of the High-Energy Trans Conformer of Trichloroacetic Acid Isolated in Solid Nitrogen and its Spontaneous Decay by Tunneling to the Low-Energy Cis Conformer (2015) (7)
Molecular structure, infrared spectrum, and photochemistry of squaric acid dimethyl ester in solid argon. (2006) (7)
Selective IR-induced isomerization of 1,2-dichloropropane isolated in xenon matrix (2008) (7)
Role of guanidyl moiety in the insertion of arginine and Nalpha-benzoyl-L-argininate ethyl ester chloride in lipid membranes. (2010) (7)
Vibrational spectra and structure of the cis and trans conformers of methyl nitrite: an ab initio MO study (1996) (6)
Controlled light-driven switching in 2-thiobenzimidazole (2018) (6)
Conformational isomerizations triggered by vibrational excitation of second stretching overtones. (2019) (6)
Structural Relevance of Intramolecular H-Bonding in Ortho-Hydroxyaryl Schiff Bases: The Case of 3-(5-bromo-2-hydroxybenzylideneamino) Phenol (2021) (6)
Selective conformational control by excitation of NH imino vibrational antennas. (2019) (6)
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. (2019) (6)
The correlation between experimental polarized Raman spectra and their density functional theory prediction in the LCAO framework: The R 3 c LiNbO 3 crystal as a test case (2021) (6)
Molecular structure and vibrational spectra of methyl cyanoacetate: an FT-IR, raman and ab initio molecular orbital study (1998) (6)
Synthesis, Structure, and Cytotoxicity of a New Sulphanyl-Bridged Thiadiazolyl-Saccharinate Conjugate: The Relevance of S⋅⋅⋅N Interaction. (2018) (6)
Photochemistry of six‐ and five‐membered‐ring α,β‐unsaturated lactones in cryogenic matrices (2008) (6)
UV-induced transformations in matrix-isolated 6‐methoxyindole (2017) (6)
A new Schiff base ligand as a fluorescence probe for Cu(II) detection in semi-aqueous solution: synthesis, characterization, fluorescence and mechanistic insight (2021) (6)
An insight into methimazole phototautomerism: Central role of the thiyl radical and effect of benzo substitution (2018) (6)
Structural Aspects of the Ortho Chloro- and Fluoro- Substituted Benzoic Acids: Implications on Chemical Properties (2020) (6)
Influence of cage confinement on the photochemistry of matrix-isolated E-β-ionone: FT-IR and DFT study. (2013) (6)
The chapman-type rearrangement in pseudosaccharins: the case of 3-(methoxy)-1,2-benzisothiazole 1,1-dioxide (2008) (6)
Conformational analysis of carbonyl and thiocarbonyl esters: the HC(=X)YXXXCH(CH3)2 (X,Y = O or S) internal rotation (1992) (6)
Characterization of Kemer L4 meteorite using Raman spectroscopy, X-ray diffraction, magnetization measurements and Mössbauer spectroscopy. (2020) (6)
Photorotamerization of matrix-isolated acrylic acid revisited. (2011) (6)
FTIR investigation of the O-H···Xe interaction in simple carboxylic acids in solid xenon. (2012) (6)
UV-tunable laser induced phototransformations of matrix isolated anethole. (2014) (6)
Low temperature FTIR, Raman, NMR spectroscopic and theoretical study of hydroxyethylammonium picrate (2016) (6)
Conformational Changes in 5-Methoxyindole: Effects of Thermal, Vibrational, and Electronic Excitations. (2017) (6)
Molecular modeling of the interaction of novel hydroxy- and aminobisphosphonates with hydroxyapatite (2010) (6)
Synthesis and physicochemical characterizations of a new valence-mixed pyrophosphate: Cu 0.5 Zn 0.5 Fe 2 (P 2 O 7 ) 2 (2018) (5)
Structure, spectroscopic properties and catalytic activity for epoxide ring-opening of nickel methylxanthate (2019) (5)
A novel fluorescent chemosensor for Cu2+ ion based on a new hexadentate ligand receptor: X-ray single crystal of the perchlorate salt of the ligand, ion selectivity assays and TD-DFT study (2021) (5)
Fourier Transform Infrared Spectroscopy Based Complementary Diagnosis Tool for Autism Spectrum Disorder in Children and Adolescents (2020) (5)
Synthesis, structural and conformational analysis, and IR spectra of ethyl 4-chloro-7-iodoquinoline-3-carboxylate (2015) (5)
UV-induced cyclization in myrcene isolated in rigid argon environment: FT-IR and DFT study (2011) (5)
Rotational isomers of methyl trans-cinnamate: A Raman study (1991) (5)
PLS-DA Model for the Evaluation of Attention Deficit and Hyperactivity Disorder in Children and Adolescents through Blood Serum FTIR Spectra (2021) (5)
Photochemistry of Tetrazole Derivatives in Cryogenic Rare Gas Matrices (2011) (5)
Raman spectroscopy and molecular mechanics in the investigation of molecular structure: calcium, strontium, barium and copper(II) monochloroacetates (1989) (5)
In situ photoproduction of dichlorodibenzo-p-dioxin from non-ionic triclosan isolated in solid argon (2012) (5)
Matrix isolation FTIR spectroscopic and theoretical study of 3,3-dichloro-1,1,1-trifluoropropane (HCFC-243). (2008) (5)
Variable temperature FTIR spectra of polycrystalline purine nucleobases and estimating strengths of individual hydrogen bonds. (2020) (5)
Photochemical α‐Cleavage in Pyran‐2‐thione: Generation of Aldehyde–Thioketene and Thioaldehyde–Ketene Photoproducts (2005) (5)
Structure elucidation and photochemistry of substituted carboxylic compounds by low temperature matrix-isolation and solid state vibrational spectroscopy (1999) (5)
Intermolecularly-induced conformational disorder in ferrocene, 1-bromoferrocene and 1,1′-dibromoferrocene (2014) (5)
Synthesis, structural characterization and DFT analysis of an unusual tryptophan copper(II) complex bound via carboxylate monodentate coordination: Tetraaquabis(l-tryptophan) copper(II) picrate (2018) (5)
Conformational study of arbutin by quantum chemical calculations and multivariate analysis (2010) (5)
Macrocyclic mononuclear Ni(II) and macroacyclic tetranuclear Cu(II) complexes: Dimerization of binuclear Cu(II) complexes with help of perchlorate anions (2018) (5)
Structure and UV-induced photochemistry of 2-furaldehyde dimethylhydrazone isolated in rare gas matrices. (2012) (5)
A multi-technique investigation of a new macroacyclic Schiff base ligand and its Cd(II), Zn(II) and Cu(II) complexes (2019) (5)
Bjurböle L/LL4 ordinary chondrite properties studied by Raman spectroscopy, X-ray diffraction, magnetization measurements and Mössbauer spectroscopy. (2020) (5)
A New Tetramine Bis(2-naphthol)-derivative Fluorescent Chemosensor for Aluminum Ion (Al3+) (2021) (5)
On the ordeal of quinolone preparation via cyclisation of aryl-enamines; synthesis and structure of ethyl 6-methyl-7-iodo-4-(3-iodo-4-methylphenoxy)-quinoline-3-carboxylate (2017) (5)
Light induced reactions in cryogenic matrices (highlights 2011–2012) (2013) (4)
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. (2006) (4)
Conformational analysis of octopamine and synephrine in the gas phase. (2013) (4)
Raman Spectroscopic and Chemometric Investigation of Lipid–Protein Ratio Contents of Soybean Mutants (2020) (4)
Auxiliary differential diagnosis of schizophrenia and phases of bipolar disorder based on the blood serum Raman spectra (2020) (4)
First observation of methane photochemical generation from an N,N-dimethylamino-substituted arene: the case of 4-(N,N-dimethylamino)benzaldehyde (DMABA) (2016) (4)
Low temperature matrix-isolation and solid state vibrational spectra of 5-chlorotetrazole y (2002) (4)
Acetic acid-water complex: The first observation of structures containing the higher-energy acetic acid conformer. (2016) (4)
1H NMR spectroscopic and quantum chemical studies on a poly(ester amide) model compound: Nalpha-benzoyl-L-argininate ethyl ester chloride. Structural preferences for the isolated molecule and in solution. (2010) (4)
Conformational space and vibrational spectra of methyl 4-chloro-5-phenyl-1,3-oxazole-2-carboxylate. (2010) (4)
Crystal structure, matrix-isolation FTIR, and UV-induced conformational isomerization of 3-quinolinecarboxaldehyde. (2014) (4)
The thermal sigmatropic isomerization of pseudosaccharyl crotyl ether (2013) (4)
Structure, vibrational spectroscopy, and photochemistry of 5-phenoxy-1-phenyltetrazole in argon and nitrogen cryomatrices (2015) (4)
Photoisomerization of p-(Dimethylamino)-β-chlorostyrene: A Low Temperature Matrix Isolation FTIR Study (2002) (4)
Matrix isolation and low temperature solid state FTIR spectroscopic study of α-furil (2006) (4)
Matrix isolation FT-IR spectroscopy and molecular orbital study of sarcosine methyl ester (2004) (4)
Oxocomplexes of U(vi) with 8-hydroxyquinoline-5-sulfonate in solution: structural studies and photophysical behaviour. (2017) (4)
A comparative study of the yellow dent and purple flint maize kernel components by Raman spectroscopy and chemometrics (2019) (4)
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. (2011) (4)
Propiolic Acid in Solid Nitrogen: NIR- and UV-Induced cis → trans Isomerization and Matrix-Site-Dependent trans → cis Tunneling. (2019) (4)
In situ direct photoproduction of ketenes from substituted coumarins isolated in solid argon: The case of N-(2-oxo-2H-chromen-3-yl)acetamide (2009) (4)
Amorphous and crystalline thioacetamide ice: Infrared spectra as a probe for temperature and structure (2020) (4)
Conformational space and photochemistry of tyramine isolated in argon and xenon cryomatrixes. (2013) (4)
Poly(9‐undecyl‐9‐methyl‐fluorene) and poly(9‐pentadecyl‐9‐methyl‐fluorene): Synthesis, solution structure, and effect of side chain asymmetry on aggregation behavior (2019) (4)
Laser‐Assisted Rapid Fabrication of Large‐Scale Graphene Oxide Transparent Conductors (2022) (4)
Hexahydro-Pyrrolo(1',2',5':3,4,5)Thiazolo(3,4-c)Oxazol-1-ones: New Chiral Tricyclic L-Cysteine and D-Penicillamine Derivatives (2006) (4)
Rotational isomerism in CH3C(S)SCH3 and CH3C(S)SCH2CH3: a combined vibrational spectroscopic and ab initio study (1994) (3)
Infrared spectra and UV-induced photochemistry of methyl aziridine-2-carboxylate isolated in argon and xenon matrices (2015) (3)
Insights into the photochemistry of 5-aminotetrazole derivatives with applications in coordination chemistry. Effect of the saccharyl moiety on the photostability (2019) (3)
Structural transformations of 3-fluoro and 3-fluoro-4-methoxy benzaldehydes under cryogenic conditions: A computational and low temperature infrared spectroscopy investigation (2018) (3)
Synthesis and physicochemical characterization of a new mixed-valence IronIII-ZincII diphosphate: Zn2+Fe3+2(P2O7)2 (2018) (3)
Thiabendazole and Thiabendazole-Formic Acid Solvate: A Computational, Crystallographic, Spectroscopic and Thermal Study (2020) (3)
Conformational behaviour, photochemistry and flash vacuum pyrolysis of a 2-(1H-tetrazol-1-yl)thiophene (2017) (3)
2,4,6-Trinitro-N-(m-tolyl)aniline: A New Polymorphic Material Exhibiting Different Colors (2021) (3)
UV-induced conformational isomerization and photochemistry of 3-chloro-4-methoxybenzaldehyde in cryogenic inert matrices. (2019) (3)
MOLECULAR STRUCTURE OF S-ETHYL THIOACRYLATE : COMBINED VIBRATIONAL SPECTROSCOPIC AND AB INITIO SCF-MO STUDY (1997) (3)
Chapter 1. Direct Observation of Tunnelling Reactions by Matrix Isolation Spectroscopy (2020) (3)
Formic acid in deuterium and hydrogen matrices (2018) (3)
Structural, spectroscopic, and photochemical study of ethyl propiolate isolated in cryogenic argon and nitrogen matrices. (2020) (3)
Spin-forbidden heavy-atom tunneling in the ring-closure of triplet cyclopentane-1,3-diyl. (2021) (3)
CONFORMATIONAL ISOMERISM IN GLYCINE AND DITHIOGLYCINE: A COMPARATIVE MOLECULAR ORBITAL STUDY (1996) (3)
Preparation of Polycarbonate-ZnO Nanocomposite Films: Surface Investigation after UV Irradiation (2022) (3)
Relative stability, potential barrier and intensity parameters of the trans and cis isomers of fluoroacetyl fluoride: an ab initio study (1988) (3)
Light induced reactions in cryogenic matrices (highlights 2013–2014) (2015) (3)
Conformational Space, IR-Induced, and UV-Induced Chemistry of Carvacrol Isolated in a Low-Temperature Argon Matrix. (2021) (3)
UV-induced transformations of matrix-isolated 6-azacytosine. (2018) (3)
The crystal structure and Raman spectrum of the sodium salt of 5-Acetic acid hydantoin (2020) (2)
Low temperature IR spectroscopy and photochemistry of matrix-isolated α-pyridil (2008) (2)
UV-induced radical formation and isomerization of 4-methoxyindole and 5-methoxyindole. (2020) (2)
Evidence of IR-Induced Chemistry in a Neat Solid: Tautomerization of Thiotropolone by Thermal, Electronic, and Vibrational Excitations. (2021) (2)
Laser Writing of Eutectic Gallium–Indium Alloy Graphene‐Oxide Electrodes and Semitransparent Conductors (2021) (2)
Conformational Landscape and Polymorphism in 5-Acetic Acid Hydantoin. (2020) (2)
Preface – From molecules to molecular materials, biological molecular systems and nanostructures: A collection of contributions presented at the XIIIth International Conference on Molecular Spectroscopy (2016) (2)
Low temperature matrix-isolation and solid state vibrational spectra of 5-chlorotetrazoleElectronic supplementary information (ESI) available: Calculated molecular geometries, rotational constants, energies and dipole moments. Definition of internal symmetry coordinates used in the normal mode analy (2002) (2)
Photoinduced Reactivity in a dispiro-1,2,4-trioxolane: Adamantane Ring Expansion and First Direct Observation of the Long-lived Triplet Diradical Intermediates. (2020) (2)
Conformational isomerism and photodecomposition of carboxylic compounds studied by matrix isolation infrared spectroscopy (1996) (2)
Photochromism of a Spiropyran in Low-Temperature Matrices: Unprecedented Bidirectional Switching between a Merocyanine and an Allene Intermediate. (2022) (2)
Hydrogen-bonded complexes of α,β-unsaturated carboxylic esters with phenols: a molecular mechanics study (1994) (2)
Polymorphism in 1-methylhydantoin: investigation by periodic DFT calculations and characterization of the third polymorph (2020) (2)
IR-induced and tunneling reactions in cryogenic matrices: the (incomplete) story of a successful endeavor. (2022) (2)
Molecular structure, spectroscopy and photochemistry of alprazolam (2022) (2)
Biologically Relevant Molecules Studied in Low Temperature Inert Matrices (2014) (2)
Photophysical studies on lanthanide(III) chelates conjugated to Pittsburgh compound B as luminescent probes targeted to Aβ amyloid aggregates. (2020) (2)
Rotational isomers of N-(β-phenylpropionyl)alanine ethyl dithioester: a Raman spectroscopic and MO study (1994) (2)
VIBRATIONAL SPECTRA (FT-IR, RAMAN AND MI-IR) OF ALPHA - AND BETA -ALANINE (1997) (2)
Conformational and Vibrational Spectroscopic Analysis of CHCl2COX and CCl3COX (X = Cl, OH, OCH3). (1986) (1)
Laser Writing of Eutectic Gallium–Indium Alloy Graphene‐Oxide Electrodes and Semitransparent Conductors (Adv. Mater. Technol. 5/2022) (2022) (1)
UV-induced –OCH3 rotamerization in a matrix-isolated methoxy-substituted ortho-hydroxyaryl Schiff base (2022) (1)
Investigation of menopause-induced changes on hair by Raman spectroscopy and chemometrics. (2022) (1)
Infrared spectrum and UV-induced photochemistry of matrix-isolated 5-methoxy-1-phenyl-1 H-tetrazole (2006) (1)
Vibrationally Induced Conformational Isomerization and Tunneling in Pyrrole-2-Carboxylic Acid. (2020) (1)
Light induced reactions in cryogenic matrices (highlights 2017–2018) (2019) (1)
Blood serum–infrared spectra-based chemometric models for auxiliary diagnosis of autism spectrum disorder (2021) (1)
Hydantoins and Mercaptoimidazoles: Vibrational Spectroscopy as a Probe of Structure and Reactivity in Different Environments, from the Isolated Molecule to Polymorphs (2018) (1)
Light induced reactions in cryogenic matrices (highlights 2015–2016) (2017) (1)
Breaking and Formation of Intramolecular Hydrogen Bonds in Dihydroxybenzaldehydes through UV-Induced Conformational Changes in a Low-Temperature Matrix. (2022) (1)
Differential Tunneling‐Driven and Vibrationally‐Induced Reactivity in Isomeric Benzazirines (2022) (1)
On the Crystal-to-Mesophase Phase Transition in Copper(II) Salts of Even-Chain Fatty Acids (1998) (1)
Prediction of 99mTc-biguanide complex structures and their interactions with biological molecules by molecular mechanics calculations. (1999) (1)
Photochemistry of matrix-isolated 3-chloro-1,2-benzisoxazole: Generation and characterization of 2-cyanophenoxyl radical and other reactive intermediates (2017) (1)
Matrix isolation study of methyl propiolate in argon and nitrogen matrices (2020) (1)
Conformational Analysis, Spectroscopy and Photochemistry of Matrix-Isolated 1H- and 2H- Tautomeric Forms of Ethyl Tetrazole-5- Carboxylate (2021) (1)
A Molecular Mechanics Force Field for Conformational Analysis of Simple Acyl Chlorides, Carboxylic Acids and Esters. (1986) (1)
Structure and IR Spectra of 3(5)-Aminopyrazoles and UV-Induced Tautomerization in Argon Matrix (2021) (1)
Inducing molecular reactions by selective vibrational excitation of a remote antenna with near-infrared light. (2021) (1)
Genesis of Rare Molecules Using Light‐Induced Reactions of Matrix‐Isolated Tetrazoles (2015) (1)
Insightful vibrational imaging study on the hydration mechanism of carbamazepine. (2022) (1)
Low-Temperature Infrared Spectra and Ultraviolet-Induced Rotamerization of 5-Chlorosalicylaldehyde (2022) (1)
Trends in two dimensional correlation spectroscopy. Selected contributions presented at the 10th international symposium on two dimensional correlation spectroscopy (2DCOS-10) – Changchun (China) (2021) (1)
Specific features of structural, magnetic, Raman and Mössbauer: Properties of La0.57Nd0.10Sr0.18Ag0.15FeO3 ferrite nanoparticules (2021) (1)
Photochemistry and Vibrational Spectra of Matrix-Isolated 5-Ethoxy-1-Phenyl-1 H-Tetrazole Luı́s (1)
α,ß-Unsaturated Carboxylic Esters and Their Hydrogen Bond Complexes with Substituted Phenols: Vibrational Spectra-Structure Correlations (1993) (0)
Molecular structure and infrared spectra of dimethyl oxalateElectronic Supplementary Information available. See http://www.rsc.org/suppdata/cp/b1/b107232n/ (2002) (0)
Professor Zofia Mielke – A Real Women of Science (2020) (0)
Structure, Vibrational Spectra, and Cryogenic MatrixPhotochemistry of 6-Bromopyridine-2-carbaldehyde: From the Single Molecule of the Compound to the Neat Crystalline Material (2023) (0)
Structure, conformational landscape and UV-induced selective rotamerization of 2-aminoacetanilide (0)
Conformational Analysis and Photochemistry of 2-Chloro-6-fluorobenzoic Acid Monomers in Solid Xenon (2019) (0)
From molecules to molecular materials, biological molecular systems and nanostructures: A collection of contributions presented at the XVth international conference on molecular spectroscopy (2021) (0)
Hydrogen‐Bonded Complexes of α,β‐Unsaturated Carboxylic Esters with Phenols: A Molecular Mechanics Study. (1994) (0)
Molecular and crystal structures and spectroscopic properties of 2-oxo-2-(Thiophen-2-yl) ethyl phosphonic acid (2019) (0)
Probing radical and nitrene intermediates in narrowband UV-induced photoreactions in cryogenic inert matrices (2017) (0)
A comparative multi‐reference configuration interaction study of the low‐lying states of two thione isomers of thiophenol (2020) (0)
Vibrational and third-order nonlinear optical study on hydroxyethylammonium picrate (HEAP) single crystals (2012) (0)
Vibrational Studies on Conformational Preferences of Terpinene Isomers in the Equilibrium Gas and Condensed Phases (2010) (0)
Conformational-Dependent Photodissociation of Glycolic Acid in an Argon Matrix (2023) (0)
Molecular structure and infrared spectra of the monomeric 3-( methoxy )-1 , 2-benzisothiazole 1 , 1-dioxide ( methyl pseudo saccharyl ether ) (2008) (0)
Investigations into the Mechanism of Solvolysis of 3-aryloxybenzisothiazoles (2014) (0)
In fl uence of Cage Con fi nement on the Photochemistry of Matrix-Isolated E ‐ β-Ionone : FTIR and DFT Study (2013) (0)
Solvato-, thermo- and photochromism in a new diazo diaromatic dye:2-(-tolyldiazenyl)naphthalen-1-amine (2022) (0)
From Molecules to Functional Materials: A collection of contributions presented at the XIVth International Conference on Molecular Spectroscopy (2019) (0)
UV-promoted radical formation, and near-IR-induced and spontaneous conformational isomerization in monomeric 9-methylguanine isolated in low-temperature Ar matrices. (2019) (0)
Molecular spectroscopy and molecular structure - Selected communications presented at the 1st International Turkish Congress on Molecular Spectroscopy (TURCMOS 2013). (2016) (0)
Conformational Space and Photochemistry of r-Terpinene (2010) (0)
Photogeneration of Rare Molecules in Cryogenic Matrices: Spectroscopists' Adventures in Wonderland (2018) (0)
Materials science and nanotechnology (2020) (0)
An excursion on molecular conformational landscapes: Discovering rare species in the highlands (2016) (0)
Substituent e V ects on the photolysis of methyl 2-carboxylate substituted aliphatic 2 H-azirines (2007) (0)
Matrix isolation and low temperature solid state FTIR spectroscopic study of alpha-furil. (2006) (0)
UV-induced isomerization of (E)-Crotonic Acid (1995) (0)
Raman activity of the longitudinal optical phonons of the LiNbO 3 crystal. Experimental determination and quantum mechanical simulation (2022) (0)
UV-induced lsomerization of (€)-Crotonic Acid. Combined Matrix-isolated IR and ab hitio MO Study (1995) (0)
Hexahydro‐pyrrolo[1′,2′,5′:3,4,5]thiazolo[3,4‐c]oxazol‐1‐ones: New Chiral Tricyclic L‐Cysteine and D‐Penicillamine Derivatives. (2007) (0)
FTIR Spectroscopic and Theoretical Study of the Photochemistry of Matrix‐isolated Coumarin (2007) (0)
Molecular modelling of the interaction of novel hydroxybisphosphonates with hydroxyapatite (2007) (0)
Sigmatropic rearrangements in 5-allyloxytetrazoles † Luı́s (2011) (0)
Conformers, infrared spectrum, UV-induced photochemistry, and near-IR-induced generation of two rare conformers of matrix-isolated phenylglycine. (2014) (0)
Conformers, Vibrational Spectra and Laser-induced Rotamerization (1993) (0)
Color Polymorphs of ROY-ol (2022) (0)
Photochemical alpha-cleavage in pyran-2-thione: generation of aldehydethioketene and thioaldehydeketene photoproducts. (2005) (0)
Correction to “Matrix Isolation Study of Fumaric and Maleic Acids in Solid Nitrogen” (2022) (0)
Thickness‐Dependent High‐Temperature Piezo‐ and Ferro‐Electricity in a Fluorenone‐Based Molecular Crystal (2022) (0)
Molecular structure and infrared spectra of dimethyl fumarate y (2002) (0)
Spectroscopic and theoretical investigation of the conformational space of a pyrazolo-thiazole precursor of extended dipole diazafulvenium methide intermediates (2009) (0)
Preface “Polymorphism and disorder of molecular components: Structural, thermodynamic and spectroscopic aspects” (2014) (0)
Low temperature FTIR and molecular orbital study of N , N-dimethylglycine methyl ester : Proof for different ground conformational states in gas phase and in condensed media y (2002) (0)
FTIR spectroscopic and theoretical study of matrix-isolated (E)-1-(cyclopropyldiazenyl)naphthalen-2-ol (2011) (0)
Molecular spectroscopy and molecular structure – Selected communications presented at the 3rd international Turkish congress on molecular spectroscopy (TURCMOS 2017) (2018) (0)
Cycloaddition of Trifluoromethyl Azafulvenium Methides: Synthesis of New Trifluoromethylpyrrole‐Annulated Derivatives. (2010) (0)
Infrared spectroscopic studies of novel hydroxybisphosphonates and molecular modelling of their interaction with hydroxyapatite (2007) (0)
Matrix-isolation FTIR spectra and molecular orbital calculations on neutral N , N-dimethylglycine y (2002) (0)
Structural, Morphological, Raman, and Mössbauer Studies on (La0.8Ca0.2)1−xBixFeO3 (x = 0.0, 0.1, and 0.2) Compounds (2018) (0)
Rotational Isomerism in CH3C(=S)-SCH3 and CH3C(=S)-S-CH2CH3: A Combined Vibrational Spectroscopic and ab initio Study. (2010) (0)
Conformational Space of Hydroxyacetone Studied by Matrix-Isolation FTIR Spectroscopy and Quantum Chemical Methods (2008) (0)
Preface “Structure, Spectroscopy and Chemistry of Reactive Intermediates” (2018) (0)
Molecular structure and infrared spectra of dimethyl oxalatey (2002) (0)
Magnetic Studies on New Mixed-Valence Phosphates Zn 2 + Fe 3 + 2 (P 2 O 7 ) 2 and Zn 2 + 0.5 Cu 2 + 0.5 Fe 3 + 2 (P 2 O 7 ) 2 (2019) (0)
Matrix Isolation Study of Fumaric and Maleic Acids in Solid Nitrogen (2022) (0)
Conformers, Vibrational Spectra and Infrared-induced (1993) (0)
Crystal and Molecular Structure of DL-Serine Hydrochloride Studied by X-Ray Diffraction , Low-Temperature Fourier Transform Infrared Spectroscopy and DFT ( B 3 LYP ) Calculations (2008) (0)
Reactive Intermediates On the Photochemistry of 1 , 2-Benzisoxazole : Capture of Elusive Spiro-2 H-azirine and Ketenimine Intermediates (2016) (0)
Infrared Spectrum and UV-Induced Photochemistry of Matrix-Isolated Phenyl 1-Hydroxy-2-Naphthoate (2021) (0)
Simultaneous Tunneling Control in Conformer-Specific Reactions (2022) (0)
Nanoarchitectonics: From Molecules to Advanced Nanomaterials (2022) (0)
Infrared Spectra and Phototransformations of meta-Fluorophenol Isolated in Argon and Nitrogen Matrices (2022) (0)
UV-Induced Benzyloxy Rotamerization in an Ortho OH-Substituted Aryl Schiff Base (2022) (0)
Photochemical Study and Vibrational Spectra of Propiolamide Isolated in Low-Temperature Ar, Xe, and N2 Matrices (2022) (0)
Rotational Isomerism in CH3CH2‐C(=S)SR (R: CH3, CH2CH3): A Combined Vibrational Spectroscopic and ab initio Study. (1994) (0)
Exploring saccharinate-tetrazoles as selective Cu( (2016) (0)
Unravelling the Structure of Peroxides with Antiparasitic Activity: The Relative Impact of a Trioxolane or a Tetraoxane Pharmacophore on the Overall Molecular Structure. (2022) (0)
Special issue: “Light-Induced Processes in Cryogenic Matrices” (2012) (0)
Hydrogen Bonding Involving α,β‐Unsaturated Carboxylic Esters and Substituted Phenols: An IR Spectroscopic Study (1992) (0)
Dual Photochemistry of Benzimidazole (2023) (0)
NBI: A Fortran Program for Molecular Mechanics Calculations on a Microcomputer (1991) (0)
Heavy‐Atom Tunneling Through Crossing Potential Energy Surfaces: Cyclization of a Triplet 2‐Formylarylnitrene to a Singlet 2,1‐Benzisoxazole (2020) (0)
CRYOGENIC RARE GAS MATRICES (2009) (0)
A Critical Assessment of Classical and Semiclassical Models for Electron Transfer Reactions in Solution (1998) (0)
Molecular Spectroscopy and Molecular Structure – A collection of contributions presented at the 34th European Congress on Molecular Spectroscopy (EUCMOS 2018) (2019) (0)
Conformers, Vibrational Spectra and Infrared‐Induced Rotamerization of Dichloroacetic Acid in Argon and Krypton Matrices (1994) (0)
Conformational Analysis and Trends in Carbonyl Stretching Frequencies of CClH2COCl, CClH2COOH and CClH2COOCH3: a Molecular Mechanics and Vibrational Spectroscopic Study. (1986) (0)
Molecular structure and infrared spectra of dimethyl malonate : A combined quantum chemical and matrix-isolation spectroscopic study y (2002) (0)
Intermolecular Cycloaddition of Nonstabilized Azomethine Ylides Generated from 1,3‐Thiazolidine‐4‐carboxylic Acids: Synthesis of 5,7a‐Dihydro‐1H,3H‐pyrrolo[1,2‐c]thiazoles. (2007) (0)
UV-Induced Isomerization of (E)-Crotonic Acid. Combined Matrix- Isolated IR and ab initio MO Study (1996) (0)
Laboratory Projects in Computational Organic Chemistry (1991) (0)
The meta and para OH Substitution Effect on C‐Phenyl‐Nitrilimine Bond‐Shift Isomers (2023) (0)
The Ethyl Group Internal Rotation in Thiopropionic Acid (Et-CH2CSOH) as Studied by ab initio and SCF-MO Methods. (1990) (0)
The High Energy S-trans Conformers of CH3COOH and CH3COOCH3: a Molecular Mechanics and Vibrational Study of CH3COCl, CH3COOH and CH3COOCH3. (1986) (0)
Light induced reactions in cryogenic matrices (2019–2020) (2021) (0)
Diels—Alder Reactions of Acyclic 2-Azadienes: A Semiempirical Molecular Orbital Study. (1998) (0)
Molecular structure, spectroscopy and reactivity: A collection of selected communications presented at the VIIth Inorganic Chemistry Congress – Çorum (Turkey) (2020) (0)
Micro-Raman Spectroscopy and X-ray Diffraction Analyses of the Core and Shell Compartments of an Iron-Rich Fulgurite (2022) (0)
Structures and Vibrational Spectra of CH,OCH,CH,OH : The (1994) (0)
Molecular and Crystal Structures of N-Picryl-m-phenolidine and Investigation of Single Crystal Polarized Raman Spectra (2022) (0)
UV-lnduced Transformations of 3-Chloro-4-methoxy-benzaldehyde in Low-Temperature Matrices (2019) (0)
Vibrational Spectroscopy as a Tool to Diagnose Psychiatric and Neurodevelopmental Disorders, Through Chemometrics Analysis of Spectral Data of Blood Plasma Samples (2019) (0)
Molecular Spectroscopy and Molecular Structure 2000. Proceedings of the XXVth European Congress on Molecular Spectroscopy, Coimbra, Portugal, August 27–September 1, 2000 (2001) (0)

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What Schools Are Affiliated With Rui Fausto?

Rui Fausto is affiliated with the following schools:

University of Lisbon
University of Coimbra
University of Porto
Jadavpur University
University of Aveiro