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List of works by Rosa M Claramunt

(15)N NMR Spectroscopy, X-ray and Neutron Diffraction, Quantum-Chemical Calculations, and UV/vis-Spectrophotometric Titrations as Complementary Techniques for the Analysis of Pyridine-Supported Bicyclic Guanidine Superbases.

scientific article published on 5 August 2016

1,5-Benzodiazepin-2(3H)-ones: In Vitro Evaluation as Antiparkinsonian Agents

scientific article published in 2021

13C and 15N NMR chemical shifts of 1-(2',4'-dinitrophenyl) and 1-(2',4',6'-trinitrophenyl) pyrazoles in the solid state and in solution

scientific article published in July 2008

13C and15N NMR spectra of aminobenzimidazoles in solution and in the solid state

scientific article published on 01 February 2009

13C detected scalar nitrogen-nitrogen couplings across the intramolecular symmetric NHN hydrogen bond of proton sponge

scientific article published in May 2001

15N-15N spin-spin coupling constants through intermolecular hydrogen bonds in the solid state

scientific article published on 30 July 2010

19F-NMR Diastereotopic Signals in Two N-CHF₂ Derivatives of (4S,7R)-7,8,8-Trimethyl-4,5,6,7-tetrahydro-4,7-methano-2H-indazole.

scientific article published on 17 November 2017

2,4-Bisimino-1,3-diazetidines: iminophosphoranes, carbodiimides and related betaines

2-Arylperimidine derivatives. Part 1. Synthesis, NMR spectroscopy, X-ray crystal and molecular structures

A 1H, 13C and 15N NMR study in solution and in the solid state of six N-substituted pyrazoles and indazoles

scientific article published in May 2006

A Facile Method to Determine the Absolute Structure of Achiral Molecules: Supramolecular-Tilt Structures

scientific article published on 05 March 2013

A Spectroscopic Study of Colchicine in the Solid State and in Solution by Multinuclear Magnetic Resonance and Vibrational Circular Dichroism

A multinuclear magnetic resonance study of fluoro derivatives of hydroxybenzaldehydes

scientific article published on 06 June 2015

A study in desmotropy

scientific article published on 01 July 2008

A theoretical NMR study of polymorphism in crystal structures of azoles and benzazoles

scientific article published on 22 January 2019

A theoretical and experimental NMR study of BODIPY 493/503: difluoro{2-[1-(3,5-dimethyl-2H-pyrrol-2-ylidene-N)ethyl]-3,5-dimethyl-1H-pyrrolato-N}boron

scientific article published on 01 May 2016

A theoretical and experimental study of the NMR spectra of 4,5,6,7-tetrafluorobenzazoles with special stress on PCM calculations of chemical shifts

scientific article published on 23 January 2015

A theoretical and experimental study of the fluxional behaviour of molybdenum dihydrobis- and hydrotris-pyrazolylborates

scientific article published on 27 July 2007

A theoretical study of multinuclear coupling constants in pyrazoles

scientific article published on 01 December 2005

A tris(pyrazol-1-yl)methane bearing carboxylic acid groups at position 4: {1-[bis(4-carboxy-3,5-dimethyl-1H-pyrazol-1-yl)methyl]-3,5-dimethyl-1H-pyrazole-4-carboxylato}sodium dihydrate

scientific article published on 03 August 2013

A vibrational circular dichroism (VCD) methodology for the measurement of enantiomeric excess in chiral compounds in the solid phase and for the complementary use of NMR and VCD techniques in solution: the camphor case.

scientific article published on 19 February 2018

Activity against Trypanosoma cruzi of New Analogues of Nifurtimox

scientific article published on 01 February 1987

Alcohol activation by [Ir(COD)(tris(pyrazol-1-yl)methane)]+ and [Ir(COD) (tris(pyrazol-1-yl)ethanel+ cations: formation of alkoxycarbonyl derivatives [(tpzm)IrH(CO2R′)(CO)]+ and [(tpze)IrH(CO2R′)]+ (R′ = Me, Et, i-Pr)

An Example of Polynomial Expansion: The Reaction of 3(5)-Methyl-1-Pyrazole with Chloroform and Characterization of the Four Isomers

scientific article published on 04 February 2019

An experimental (NMR) and theoretical (GIAO) study of the tautomerism of benzotriazole in solution

An experimental and theoretical NMR study of NH-benzimidazoles in solution and in the solid state: proton transfer and tautomerism.

scientific article published on 16 July 2014

Aromatic propellenes. Part 2. Study of conformational isomerism of hexa(pyrazol-1-yl)benzene: X-ray crystallography and semiempirical calculations

Computational thermochemistry of six ureas, imidazolidin-2-one, N,N'-trimethyleneurea, benzimidazolinone, parabanic acid, barbital (5,5'-diethylbarbituric acid), and 3,4,4'-trichlorocarbanilide, with an extension to related compounds.

scientific article published on September 2010

Conformational analysis of 1,2:5,6:9,10-tribenzocyclododeca-1,5,9-triene by proton NMR at 173 K

Conformational aspects of polymorphs and phases of 2-propyl-1-benzimidazole

scientific article published on 14 September 2018

Crystal and molecular structure of three biologically active nitroindazoles

Crystal structures of 2-(2-methoxyphenyl) perimidine and its hemihydrate

Determining hydrogen-bond strengths in the solid state by NMR: the quantitative measurement of homonuclear J couplings

scientific article published on 01 September 2002

Diazole-based powdered cocrystal featuring a helical hydrogen-bonded network: structure determination from PXRD, solid-state NMR and computer modeling

scientific article published on 30 December 2014

Effects of Curcuminoid Pyrazoles on Cancer Cells and on the Expression of Telomerase Related Genes.

scientific article published on 6 June 2016

Electrospray mass spectrometry of 2-aminotroponimines and 2-aminotropones

scientific article published in January 2003

Evaluation of the Antioxidant and Neuroprotectant Activities of New Asymmetrical 1,3-Diketones

scientific article published on 24 July 2018

Fast degenerate double proton transfer in the solid state between two indazolinone tautomers

Five different fluxional processes in polyfluorophenyl palladium(II) complexes with 2,4,6-tris(3,5-dimethylpyrazol-1-yl)-1,3,5-triazine. The driving effect of the solvent.

scientific article

Fluorinated indazoles as novel selective inhibitors of nitric oxide synthase (NOS): synthesis and biological evaluation

scientific article published on 6 August 2009

Fluorination Effects on NOS Inhibitory Activity of Pyrazoles Related to Curcumin.

scientific article published on 28 August 2015

Host-guest chemistry of tolbutamide.

scientific article published on 23 June 2006

Host-guest chemistry. 2. Amine inclusion compounds of 2-[o-(triphenylphosphoranylidenamino)benzyliden]amino-1H-2,3-dihydroindazol-3-one. X-ray structure of its 1?1?1 inclusion complex with isopropylamine and water

Host-guest chemistry. Methanol, ethanol and propan-1-ol inclusion compounds of 2-[o-(triphenylphosphoranylidenamino) benzyliden] amino-1H-2, 3-dihydroindazol-3-one. X-ray structural characterization of the free host and its ethanol inclusion compound

article published in 1992

Imidazole and benzimidazole addition to quinones. Formation of meso and d,l isomers and crystal structure of the d,l isomer of 2,3-Bis(benzimidazol-1'-yl)-1,4-dihydroxybenzene

article

Iminophosphorane-substituted proton sponges. Part 1. X-ray molecular structures of 1,8-diaminonaphthalene and 1-amino-8-triphenylphosphoranylideneaminonaphthalene

Iminophosphorane-substituted proton sponges. Part 5. Structures in the solid state. Correlation between solid state31P MAS NMR spectra and crystal structures

Improving VEGFR-2 Docking-Based Screening by Pharmacophore Postfiltering and Similarity Search Postprocessing ⬇️

scientific article published on March 18, 2011

Intermolecular proton transfer in host–guest crystals: the case of pyrazole included in 1,1-di(2,4-dimethylphenyl)but-2-yn-1-ol, an X-ray and solid-state13C/15N NMR study

Intramolecular interactions and photoinduced electron transfer in isoalloxazine-naphthalene bichromophores

Molecular Recognition: Improved Binding of Biotin Derivatives with Synthetic Receptors

scientific article published on 01 April 2006

Molecular complexes between pi-excedent heterocycles (indoles and carbazole) and pi-deficient polynitrobenzenes

scientific article published in November 2009

Molecular recognition studies on naphthyridine derivatives.

scientific article published on 3 March 2010

Molecular structure and dynamics of C-1-adamantyl substituted N-unsubstituted pyrazoles studied by solid state NMR spectroscopy and X-ray crystallography

Multiple hydrogen bonds and tautomerism in naphthyridine derivatives

article

Mutagenicity study on pyrazole, seven pyrazole derivatives, and two nitroimidazoles with the L-arabinose resistance test of Salmonella typhimurium

scientific article published on January 1986

N-Aminoazoles. Part 3. Molecular structure and multinuclear NMR study of 1,3-diaminobenzimidazolium chloride hydrate and 1-amino-3-methylbenzimidazolium iodide

N-aminoazoles. Part 2. Basicity and protonation site of N-aminoazoles: an experimental (pKa,13C and15N NMR spectroscopy and crystallography) and theoretical study

scholarly article by Rosa M Claramunt et al published 1993 in Perkin transactions II RSC

NMR crystallography of campho[2,3-c]pyrazole (Z' = 6): combining high-resolution 1H-13C solid-state MAS NMR spectroscopy and GIPAW chemical-shift calculations

scholarly article by Amy L Webber et al published 30 September 2010 in Journal of Physical Chemistry A

NMR studies of novel Schiff bases derived from L-alpha-amino methyl esters and 3-hydroxypyridin-4-carboxaldehyde

scientific article

NMR studies of ultrafast intramolecular proton tautomerism in crystalline and amorphous n,n'-diphenyl-6-aminofulvene-1-aldimine: solid-state, kinetic isotope, and tunneling effects

scientific article published in July 2008

On the tautomerism of pyrazolones: the geminal 2J[pyrazole C-4,H-3(5)] spin coupling constant as a diagnostic tool

Photophysics of the 2-(2′-hydroxyphenyl)perimidines: Photostability studies

Pyrazolo[1,5-a]pyrimidines. A combined multinuclear magnetic resonance (1H,13C,15N,19F) and DFT approach to their structural assignment

scientific article published on 01 June 2007

Pyridyl and pyridiniumyl β-diketones as building blocks for palladium(ii) and allyl–palladium(ii) isomers. Multinuclear NMR structural elucidation and liquid crystal behaviour

Pyrrole-pyridine and pyrrole-naphthyridine hosts for anion recognition

scientific article published on 27 May 2015

Quantifying weak hydrogen bonding in uracil and 4-cyano-4'-ethynylbiphenyl: a combined computational and experimental investigation of NMR chemical shifts in the solid state

scientific article published in January 2008

Scalar coupling constants across the intramolecular NHN hydrogen bond of symmetrically and non-symmetrically substituted 6-aminofulvene-1-aldimines

Self-assembly structures of 1H-indazoles in the solution and solid phases: a vibrational (IR, FIR, Raman, and VCD) spectroscopy and computational study.

scientific article published on 12 July 2013

Solid-State Structure and Tautomerism of 2-Aminotroponimines Studied by X-ray Crystallography and Multinuclear NMR Spectroscopy

Spiro-fused (C2)-azirino-(C4)-pyrazolones, a new heterocyclic system. Synthesis, spectroscopic studies and X-ray structure analysis

scientific article published in October 2003

Structural Investigation of Weak Intermolecular Interactions (Hydrogen and Halogen Bonds) in Fluorine-Substituted Benzimidazoles

Structural studies of two Tinuvin P analogs: 2-(2,4-dimethylphenyl)-2H-benzotriazole and 2-phenyl-2H-benzotriazole.

scientific article published on 21 September 2007

Structure of 1,5-benzodiazepinones in the solid state and in solution: Effect of the fluorination in the six-membered ring

scientific article published on 21 October 2013

Structure of 3(5)-methyl-4-nitropyrazole in the solid state: tautomerism, crystallography and the problem of desmotropy

scholarly article by Concepción Foces-Foces et al published 1994 in Journal of the Chemical Society. Chemical communications

Structure of N,N'-bis(amino acids) in the solid state and in solution. A 13C and 15N CPMAS NMR study

scientific article published on 8 October 2008

Structure of a 4-nitroso-5-aminopyrazole and its salts: tautomerism, protonation, and E/Z isomerism

scientific article published in November 2003

Structure of the products of condensation of hydroxylamine with trifluoromethyl-β-diketones: assignments of the diastereotopic protons of the 4-methylene group in 5-hydroxy-5-trifluoromethyl-Δ2-isoxazolines

scientific article published on 01 December 2005

Studies of intramolecular hydrogen bonds (IMHB): crystal and molecular structure of 2-(2′-hydroxy-phenyl)imidazoles

Substituent effects on enthalpies of formation of nitrogen heterocycles: 2-substituted benzimidazoles and related compounds

scientific article published in February 2006

Symmetrization of cationic hydrogen bridges of protonated sponges induced by solvent and counteranion interactions as revealed by NMR spectroscopy.

scientific article published in February 2010

Syntheses and structural studies of Schiff bases involving hydrogen bonds

scientific article published on 21 June 2006

Synthesis and biological evaluation of curcuminoid pyrazoles as new therapeutic agents in inflammatory bowel disease: effect on matrix metalloproteinases

scientific article published on 6 January 2009

Synthesis and biological evaluation of indazole derivatives

scientific article published on 28 January 2011

Synthesis and structural studies of some [14]paracyclo-bis-(1,2)pyrazolium- and (1,3)imidazolium-phanes

Synthesis and structure of new hosts related to 9,9′-bianthryl

Synthesis, structure (NMR and mass spectrometry) and conformational analysis of heterocyclic analogues of dibenzo[a,e]cycloocta-1,5-diene: 5,6,12,13-tetrahydrobispyrazolo[1,2-a:1′,2′-e][1,2,5,6]tetraazocinediium dihalides

article published in 1996

Synthesis, structure and NMR study of fluorinated isoxazoles derived from hemi-curcuminoids

scientific article published in 2019

Synthetic Hosts for Molecular Recognition of Ureas

scientific article published on 26 July 2011

Tautomerism in the solid state and in solution of a series of 6-aminofulvene-1-aldimines

scientific article published in March 2002

The Curious Case of 2-Propyl-1H-benzimidazole in the Solid State: An Experimental and Theoretical Study

scientific article published on 12 July 2017

The Structure of 1H-Perimidin-2(3H)-one and Its Derivatives in the solid state (x-ray crystallography and CP/MAS13C-NMR), in solution (13C-NMR), and in the gas phase (mass spectrometry)

The Structure of Pyrazoles in the Solid State: A Combined CPMAS, NMR, and Crystallographic Study

scientific article published on 01 September 2006

The behavior of Gliclazide in solution and in the solid state: a case of organic compound presenting a solid-solution structure

scientific article published in June 2009

The direct detection of a hydrogen bond in the solid state by NMR through the observation of a hydrogen-bond mediated (15)N [bond] (15)N J coupling

scientific article published in 2002

The structure of ammonium pyrazolates in the solid state

article

The structure of azines derived from C-formyl-1H-imidazoles in solution and in the solid state: tautomerism, configurational and conformational studies

scientific article published on 07 February 2013

The structure of glibenclamide in the solid state

The structure of the anti-aging agent J147 used for treating Alzheimer's disease

scientific article published on 12 February 2019

The structures of two aldazines: [1,1'-(1E,1'E)-hydrazine-1,2-diylidenebis(methan-1-yl-1-ylidene)dinaphthalen-2-ol] (Lumogen) and 2,2'-(1E,1'E)-hydrazine-1,2-diylidenebis(methan-1-yl-1-ylidene)diphenol (salicylaldazine) in the solid state and in sol

scientific article

The synergy of different solid-state techniques to elucidate the supramolecular assembly of two 1H-benzotriazole polymorphs

scientific article published on 01 September 2019

The tautomerism of 1H-pyrazole-3(5)-(N-tert-butyl)carboxamide in the solid state and in solution.

scientific article published in January 2005

The tautomerism of Omeprazole in solution: a 1H and 13C NMR study

scientific article published in August 2004

Theoretical calculations of a model of NOS indazole inhibitors: interaction of aromatic compounds with Zn-porphyrins

scientific article published on 9 October 2009

Theoretical studies on the tautomerism of 1,5,6,7-tetrahydro-4H-indazol-4-ones

scientific article published on 12 June 2006

Towards the design of host-guest complexes: biotin and urea derivatives versus artificial receptors.

scientific article published in December 2004

Tris(pyrazol-1-yl)methane-rhodium(I) and -iridium(I) complexes; cyrstal structure of [Rh(COD)(tpzm)][RhCl2(COD)]·3CHCl3

scholarly article by Miguel A. Esteruelas et al published April 1988 in Journal of Organometallic Chemistry

Tuning photoinduced processes of covalently bound isoalloxazine and anthraquinone bichromophores

scientific article published on 01 May 2013

Unprecedented 1,3-Diaza[3]ferrocenophane Scaffold as Molecular Probe for Anions

scientific article published on 14 February 2011

Utilization of charge and mass labeling for the structural identification of heterocyclic quaternary salts by mass spectrometry

Weak Intermolecular CH···N Hydrogen Bonding: Determination of 13CH-15N Hydrogen-Bond Mediated J Couplings by Solid-State NMR Spectroscopy and First-Principles Calculations

scientific article published on 09 January 2020

Why does pivalaldehyde (trimethylacetaldehyde) unexpectedly seem more basic than 1-adamantanecarbaldehyde in the gas phase? FT-ICR and high-level ab initio studies.

scientific article published in March 2005

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