PEREZ TORRALBA, MARTA

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Química Orgánica y Bio-Orgánica / Universidad Nacional de Educación a Distancia

The Structure of Nitro- and Polynitropyrazoles: X-Ray Crystallography Versus Theoretical Calculations

Claramunt,R.M.
Pérez-Torralba,M.
Elguero,J.
Alkorta,I.

Asian Journal of Organic Chemistry - 1/10/2025

Editor: John Wiley and Sons Inc

10.1002/ajoc.202500400 View at source

ISSN/ISBN 2193-5815

1,5-benzodiazepin-2(3h)-ones: In vitro evaluation as antiparkinsonian agents

de Zárate, A.O.
Pérez-Torralba, M.
Isidro, I.B.
López, C.
Claramunt, R.M.
Martínez-Casanova, D.
Sánchez-Vera, I.
Jiménez-González, J.
Lavandera, J.L.

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Antioxidants - 1/10/2021

Editor: MDPI

10.3390/antiox10101584 View at source

ISSN/ISBN 2076-3921

Regiospecific synthesis and structural studies of 3,5-dihydro-4h-pyrido[2,3-b][1,4]diazepin-4-ones and comparison with 1,3-dihydro-2h-benzo[b][1,4]diazepin-2-ones

Alonso, D.N.
Pérez-Torralba, M.
Claramunt, R.M.
Torralba, M.C.
Delgado-Martínez, P.
Alkorta, I.
Elguero, J.
Roussel, C.

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ACS Omega (p. 25408-25422) - 2020

Editor: American Chemical Society

10.1021/acsomega.0c03843 View at source

ISSN/ISBN 2470-1343

A GIPAW versus GIAO-ZORA-SO study of 13C and 15N CPMAS NMR chemical shifts of aromatic and heterocyclic bromo derivatives

Marín-Luna, M.
Claramunt, R.M.
López, C.
Pérez-Torralba, M.
Sanz, D.
Reviriego, F.
Alkorta, I.
Elguero, J.

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Solid State Nuclear Magnetic Resonance - 1/08/2020

Editor: Elsevier B.V.

10.1016/j.ssnmr.2020.101676 View at source

ISSN/ISBN 1527-3326

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

Webber, A.L.
Yates, J.R.
Zilka, M.
Sturniolo, S.
Uldry, A.-C.
Corlett, E.K.
Pickard, C.J.
Pérez-Torralba, M.
Angeles Garcia, M.
Santa Maria, D.
Claramunt, R.M.
Brown, S.P.

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Journal of Physical Chemistry A (p. 560-572) - 23/01/2020

Editor: American Chemical Society

10.1021/acs.jpca.9b10726 View at source

ISSN/ISBN 1520-5215

Semblanzas de los Premios Nobel 2018 en Química

Farrán Morales, María Ángeles
Pérez Torralba, Marta

100cias@uned (p. 115-119) - 2018

Editor: Facultad de Ciencias

ISSN/ISBN 1989-7189

The structure of fosfomycin salts in solution and in the solid state by nuclear magnetic resonance spectroscopy and DFT calculations

Pérez Torralba, M.
Sanz, D.
Claramunt, R.M.
Alkorta, I.
Dardonville, C.
Elguero, J.

Tetrahedron (p. 3937-3942) - 19/07/2018

Editor: Elsevier Ltd

10.1016/j.tet.2018.02.041 View at source

ISSN/ISBN 1464-5416

Static and Dynamic Properties of Fluorinated 4-Aryl-1,5-Benzodiazepinones

Martín, O.
Pérez-Torralba, M.
García, M.Á.
Claramunt, R.M.
Torralba, M.C.
Torres, M.R.
Alkorta, I.
Elguero, J.

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ChemistrySelect (p. 861-870) - 2016

Editor: Wiley-Blackwell

10.1002/slct.201600167 View at source

ISSN/ISBN 2365-6549

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

Alkorta, I.
Elguero, J.
Pérez-Torralba, M.
Lõpez, C.
Claramunt, R.M.

Magnetic Resonance in Chemistry (p. 353-362) - 1/05/2015

Editor: John Wiley and Sons Ltd

10.1002/mrc.4203 View at source

ISSN/ISBN 1097-458X

Structural investigation of weak intermolecular interactions (Hydrogen and Halogen Bonds) in fluorine-substituted benzimidazoles

Pérez-Torralba, M.
García, M.A.
López, C.
Torralba, M.C.
Torres, M.R.
Claramunt, R.M.
Elguero, J.

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Crystal Growth and Design (p. 3499-3509) - 2/07/2014

Editor: American Chemical Society

10.1021/cg500442k View at source

ISSN/ISBN 1528-7505