José Elguero

发表

José Elguero, José Elguero, 1994 .

Computational Study of Proton Transfer in Tautomers of 3- and 5-Hydroxypyrazole Assisted by Water.

José Elguero, Goar Sánchez-Sanz, Cristina Trujillo, 2015, Chemphyschem : a European journal of chemical physics and physical chemistry.

Curcumin derivedpyrazoles and related compounds

José Elguero, Rosa Ma Claramunt, Carla I. Nieto, 2016 .

Études RMN en série hétérocyclique: X. — Déplacements chimiques 14N de pyrazoles substitués

José Elguero, Michal Witanowski, Lech Stefaniak, 1973 .

Study of E/Z Isomerization in a Series of Novel Non-ligand Binding Pocket Androgen Receptor Antagonists

David G. Lloyd, Mary J. Meegan, Fernando Blanco, 2012, J. Chem. Inf. Model..

Acidity and Basicity of Indazole and its N-Methyl Derivatives in the Ground and in the Excited State

José Elguero, Pilar Jiménez, Javier Catalán, 1994 .

FCl:PCX complexes: old and new types of halogen bonds.

José Elguero, Ibon Alkorta, J. Elguero, 2012, The journal of physical chemistry. A.

Phosphorus as a simultaneous electron-pair acceptor in intermolecular P···N pnicogen bonds and electron-pair donor to Lewis acids.

José Elguero, Goar Sánchez-Sanz, Ibon Alkorta, 2013, The journal of physical chemistry. A.

Structures of NH-pyrazoles bearing only C-methyl substituents: 4-methylpyrazole is a hydrogen-bonded trimer in the solid (100 K)

José Elguero, Richard Goddard, Rosa M. Claramunt, 1999 .

Stabilities and properties of O3–HOCl complexes: A computational study

José Elguero, Ibon Alkorta, Mohammad Solimannejad, 2007 .

Non-conventional hydrogen bonds

José Elguero, Ibon Alkorta, Isabel Rozas, 1998 .

Characterizing complexes with F-Li...N, H-Li...N, and CH3Li...N lithium bonds: structures, binding energies, and spin-spin coupling constants.

José Elguero, Ibon Alkorta, Janet E Del Bene, 2009, The journal of physical chemistry. A.

Tautomerism of Heterocycles: Condensed Five‐Six, Five‐Five, and Six‐Six Ring Systems with Heteroatoms in Both Rings

Alan R. Katritzky, José Elguero, Irina V. Shcherbakova, 2000 .

The Tautomerism of heterocycles

José Elguero, J. Elguero, 1976 .

Prototropic Tautomerism of Heterocycles: Heteroaromatic Tautomerism — General Overview and Methodology

Alan R. Katritzky, José Elguero, A. Katritzky, 2000 .

Do traditional, chlorine-shared, and ion-pair halogen bonds exist? An ab initio investigation of FCl:CNX complexes.

José Elguero, Ibon Alkorta, J. Elguero, 2010, The journal of physical chemistry. A.

Chiral distinction in square planar Pt and Pd complexes of 2,2′-bipyridine derivatives

José Elguero, Ibon Alkorta, Markku R. Sundberg, 2009 .

Prototropic Tautomerism of Heterocycles: Heteroaromatic Tautomerism—General Overview and Methodology

Alan R. Katritzky, José Elguero, A. Katritzky, 2000 .

Application of Free-Wilson matrices to the analysis of the tautomerism and aromaticity of azapentalenes: a DFT study

José Elguero, Ibon Alkorta, J. Elguero, 2008 .

Structures, energies, bonding, and NMR properties of pnicogen complexes H2XP:NXH2 (X ═ H, CH3, NH2, OH, F, Cl).

José Elguero, Ibon Alkorta, J. Elguero, 2011, The journal of physical chemistry. A.

Competition and interplay between σ-hole and π-hole interactions: a computational study of 1:1 and 1:2 complexes of nitryl halides (O2NX) with ammonia.

José Elguero, Goar Sánchez-Sanz, Cristina Trujillo, 2012, The journal of physical chemistry. A.

The Tautomerism of Heterocycles: Five-membered Rings with Two or More Heteroatoms

Alan R. Katritzky, José Elguero, Vladimir I. Minkin, 2000 .

Exploring the PX3:NCH and PX3:NH3 potential surfaces, with X = F, Cl, and Br

José Elguero, Ibon Alkorta, J. Elguero, 2015 .

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

José Elguero, Concepción Foces-Foces, Javier Catalán, 1995 .

Lone-Pair Hole on P: P···N Pnicogen Bonds Assisted by Halogen Bonds.

José Elguero, Goar Sánchez-Sanz, Ibon Alkorta, 2017, The journal of physical chemistry. A.

Theoretical estimation of the annular tautomerism of indazoles

José Elguero, Ibon Alkorta, J. Elguero, 2005 .

Structures, binding energies, and spin-spin coupling constants of geometric isomers of pnicogen homodimers (PHFX)2, X = F, Cl, CN, CH3, NC.

José Elguero, Ibon Alkorta, J. Elguero, 2012, The journal of physical chemistry. A.

Charge-Transfer Complexes between Dihalogen Compounds and Electron Donors

José Elguero, Ibon Alkorta, Isabel Rozas, 1998 .

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

José Elguero, Mateo Alajarin, Concepción Foces-Foces, 1991 .

A computational approach to intermolecular proton transfer in the solid state: assistance by proton acceptor molecules

José Elguero, Ibon Alkorta, Isabel Rozas, 1998 .

Beryllium Bonds, Do They Exist?

José Elguero, Otilia Mó, Manuel Yáñez, 2009, Journal of chemical theory and computation.

31P–31P spin–spin coupling constants for pnicogen homodimers

José Elguero, Goar Sánchez-Sanz, Ibon Alkorta, 2011 .

How to determine whether intramolecular H...H interactions can be classified as dihydrogen bonds.

José Elguero, Ibon Alkorta, J. Elguero, 2008, The journal of physical chemistry. A.

Study of the methanol trimer potential energy surface

José Elguero, Otilia Mó, Manuel Yáñez, 1997 .

Interaction of anions with perfluoro aromatic compounds.

José Elguero, Ibon Alkorta, Isabel Rozas, 2002, Journal of the American Chemical Society.

Characterizing traditional and chlorine-shared halogen bonds in complexes of phosphine derivatives with ClF and Cl2.

José Elguero, Ibon Alkorta, J. Elguero, 2014, The journal of physical chemistry. A.

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

José Elguero, Concepción Foces-Foces, J. Elguero, 1993 .

Orthogonal interactions between nitryl derivatives and electron donors: pnictogen bonds.

José Elguero, Goar Sánchez-Sanz, Cristina Trujillo, 2013, Physical chemistry chemical physics : PCCP.

STATISTICAL ANALYSIS OF SOLVENT SCALES. PART 1

José Elguero, R. Phan Tan Luu, Michelle Sergent, 1997 .

A theoretical study of the interactions of NF(3) with neutral ambidentate electron donor and acceptor molecules.

José Elguero, Ibon Alkorta, Mohammad Solimannejad, 2011, Physical chemistry chemical physics : PCCP.

Basicity of N‐H‐ and N‐Methyl‐1,2,3‐triazoles in the Gas Phase, in Solution, and in the Solid State − An Experimental and Theoretical Study

José Elguero, Ibon Alkorta, Concepción Foces-Foces, 2001 .

On the Reliability of Pure and Hybrid DFT Methods for the Evaluation of Halogen, Chalcogen, and Pnicogen Bonds Involving Anionic and Neutral Electron Donors.

José Elguero, Ibon Alkorta, Antonio Frontera, 2013, Journal of chemical theory and computation.

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

José Elguero, Ibon Alkorta, J. Elguero, 2005, Magnetic resonance in chemistry : MRC.