Ibon Alkorta (I Alkorta)

ResearcherID Scopus Author ID ORCID

Publication Activity (10 Years)

Years Active: 2016-2024
Publications (10 Years): 128

Top Venues

The journal of physical chemistry. A

Chemphyschem : a European journal of chemical physics and physical chemistry

Molecules (Basel, Switzerland)

Physical chemistry chemical physics : PCCP

This page only lists publications with an associated author ORCID identifier.

Publications

Maxime Ferrer, Ibon Alkorta, José Elguero, Josep M Oliva-Enrich
A multi-FLP approach for CO 2 capture: investigating nitrogen, boron, phosphorus and aluminium doped nanographenes and the influence of a sodium cation. Physical chemistry chemical physics : PCCP 26 (16) (2024)
Ibon Alkorta, Jose Elguero
An ab Initio Study of High-Energetic Trioxatriazinane Derivatives: Conformational Analysis, Nitrogen Inversion, Heats of Formation, Dissociation Reaction, and Dimerization. Chemphyschem : a European journal of chemical physics and physical chemistry 25 (7) (2024)
Ibon Alkorta, Jose Elguero
An ab Initio Study of High-Energetic Trioxatriazinane Derivatives: Conformational Analysis, Nitrogen Inversion, Heats of Formation, Dissociation Reaction, and Dimerization. Chemphyschem : a European journal of chemical physics and physical chemistry (2024)
Ibon Alkorta, Anthony C Legon
Monohydrides of the Group 13 Elements M=B, Al and Ga: Axial Bi-Nucleophilicity and the Propensity to Form Both H-M⋅⋅⋅HX and M-H⋅⋅⋅HX Hydrogen Bonds (X=F, Cl, Br, I, CN, CCH, CP). ChemPlusChem (2024)
Ibon Alkorta, Anthony C Legon
Ab Initio Investigation of Tetrel Bonds in Isolated Complexes Formed Between a Lewis Acid H 3 MX, M-O or M-S (M = Si, Ge, or Sn) and the Lewis Bases B = N 2 , CO, HCCH, PH 3 , C 2 H 4 , HCN, CS, HNC, NP, H 2 O, and NH 3 . The journal of physical chemistry. A 128 (29) (2024)
Maxime Ferrer, Ibon Alkorta, Jose Elguero, Josep M Oliva-Enrich
Capture of CO 2 by Melamine Derivatives: A DFT Study Combining the Relative Energy Gradient Method with an Interaction Energy Partitioning Scheme. The journal of physical chemistry. A (2024)
Ibon Alkorta, Anthony C Legon
Ab Initio Investigation of Tetrel Bonds in Isolated Complexes Formed Between a Lewis Acid H 3 MX, M-O or M-S (M = Si, Ge, or Sn) and the Lewis Bases B = N 2 , CO, HCCH, PH 3 , C 2 H 4 , HCN, CS, HNC, NP, H 2 O, and NH 3 . The journal of physical chemistry. A 128 (29) (2024)
Goar Sanchez-Sanz, Ibon Alkorta, José Elguero
Low Valence Triel (I) Systems as Hydrogen Bond Acceptors and their Stability with Respect to Triel (III) Compounds. Chemphyschem : a European journal of chemical physics and physical chemistry (2024)
Carlos Martín-Fernández, Jose Elguero, Ibon Alkorta
Beryllium as a Base: Complexes of Be(CO) 3 with HX (X=F, Cl, Br, CN, NC, CCH, OH). Chemphyschem : a European journal of chemical physics and physical chemistry (2024)
Maxime Ferrer, Ibon Alkorta, José Elguero, Josep M Oliva-Enrich
A multi-FLP approach for CO 2 capture: investigating nitrogen, boron, phosphorus and aluminium doped nanographenes and the influence of a sodium cation. Physical chemistry chemical physics : PCCP 26 (16) (2024)
Maxime Ferrer, Ibon Alkorta, Jose Elguero, Josep M Oliva-Enrich
(Pyridin-2-ylmethyl)triel Derivatives as Masked Frustrated Lewis Pairs. Interactions and CO 2 -Sequestration. Chemphyschem : a European journal of chemical physics and physical chemistry (2024)
Ibon Alkorta, Anthony C Legon
Ab Initio Investigation of Tetrel Bonds in Isolated Complexes Formed Between a Lewis Acid H 3 MX, M-O or M-S (M = Si, Ge, or Sn) and the Lewis Bases B = N 2 , CO, HCCH, PH 3 , C 2 H 4 , HCN, CS, HNC, NP, H 2 O, and NH 3 . The journal of physical chemistry. A 128 (29) (2024)
Maxime Ferrer, Ibon Alkorta, Jose Elguero, Josep M Oliva-Enrich
(Pyridin-2-ylmethyl)triel Derivatives as Masked Frustrated Lewis Pairs. Interactions and CO 2 -Sequestration. Chemphyschem : a European journal of chemical physics and physical chemistry 25 (6) (2024)
Maxime Ferrer, Ibon Alkorta, Jose Elguero, Josep M Oliva-Enrich
Capture of CO 2 by Melamine Derivatives: A DFT Study Combining the Relative Energy Gradient Method with an Interaction Energy Partitioning Scheme. The journal of physical chemistry. A 128 (7) (2024)
Maxime Ferrer, Ibon Alkorta, Jose Elguero, Josep M Oliva-Enrich
Capture of CO 2 by Melamine Derivatives: A DFT Study Combining the Relative Energy Gradient Method with an Interaction Energy Partitioning Scheme. The journal of physical chemistry. A 128 (7) (2024)
Rubén López-Sánchez, Maxime Ferrer, Josep M Oliva-Enrich, Ibon Alkorta, Jose Elguero
Towards 2D Borane Chemistry in Hexagonal Cyclic Compounds. Chemphyschem : a European journal of chemical physics and physical chemistry (2024)
Ibon Alkorta, Anthony C Legon
Ab Initio Investigation of Tetrel Bonds in Isolated Complexes Formed Between a Lewis Acid H 3 MX, M-O or M-S (M = Si, Ge, or Sn) and the Lewis Bases B = N 2 , CO, HCCH, PH 3 , C 2 H 4 , HCN, CS, HNC, NP, H 2 O, and NH 3 . The journal of physical chemistry. A (2024)
Ibon Alkorta, Anthony C Legon
Ab Initio Investigation of Tetrel Bonds in Isolated Complexes Formed Between a Lewis Acid H 3 MX, M-O or M-S (M = Si, Ge, or Sn) and the Lewis Bases B = N 2 , CO, HCCH, PH 3 , C 2 H 4 , HCN, CS, HNC, NP, H 2 O, and NH 3 . The journal of physical chemistry. A 128 (29) (2024)
Maxime Ferrer, Ibon Alkorta, Jose Elguero, Josep M Oliva-Enrich
Capture of CO 2 by Melamine Derivatives: A DFT Study Combining the Relative Energy Gradient Method with an Interaction Energy Partitioning Scheme. The journal of physical chemistry. A 128 (7) (2024)
Maxime Ferrer, Ibon Alkorta, José Elguero, Josep M Oliva-Enrich
A multi-FLP approach for CO 2 capture: investigating nitrogen, boron, phosphorus and aluminium doped nanographenes and the influence of a sodium cation. Physical chemistry chemical physics : PCCP (2024)
Rubén López-Sánchez, Maxime Ferrer, Josep M Oliva-Enrich, Ibon Alkorta, Jose Elguero
Towards 2D Borane Chemistry in Hexagonal Cyclic Compounds. Chemphyschem : a European journal of chemical physics and physical chemistry 25 (7) (2024)
Otilia Mó, M Merced Montero-Campillo, Manuel Yáñez, Ibon Alkorta, José Elguero
Discovering trends in the Lewis acidity of beryllium and magnesium hydrides and fluorides with increasing clusters size. Journal of computational chemistry 45 (20) (2024)
Otilia Mó, M Merced Montero-Campillo, Manuel Yáñez, Ibon Alkorta, José Elguero
Discovering trends in the Lewis acidity of beryllium and magnesium hydrides and fluorides with increasing clusters size. Journal of computational chemistry (2024)
Maxime Ferrer, Ibon Alkorta, Jose Elguero, Josep M Oliva-Enrich
Reactivity of a model of B 3 P 3 -doped nanographene with up to three CO 2 molecules. Scientific reports 13 (1) (2023)
Ibon Alkorta, Paul L A Popelier
Linking the Interatomic Exchange-Correlation Energy to Experimental J -Coupling Constants. The journal of physical chemistry. A 127 (2) (2023)
Ibon Alkorta, Paul L A Popelier
Linking the Interatomic Exchange-Correlation Energy to Experimental J -Coupling Constants. The journal of physical chemistry. A (2023)
Ibon Alkorta, John M C Plane, Jose Elguero, Juan Z Dávalos, A Ulises Acuña, Alfonso Saiz-Lopez
Reply to the 'Comment on "Theoretical study of the NO 3 radical reaction with CH 2 ClBr, CH 2 ICl, CH 2 BrI, CHCl 2 Br, and CHClBr 2 "' by C. J. Nielsen and Y. Tang, Phys. Chem. Chem. Phys. , 2022, 24 , DOI: 10.1039/D2CP03013F. Physical chemistry chemical physics : PCCP 25 (5) (2023)
Maxime Ferrer, Ibon Alkorta, Jose Elguero, Josep M Oliva-Enrich
Reactivity of a model of B 3 P 3 -doped nanographene with up to three CO 2 molecules. Scientific reports 13 (1) (2023)
Ibon Alkorta, Paul L A Popelier
Linking the Interatomic Exchange-Correlation Energy to Experimental J -Coupling Constants. The journal of physical chemistry. A 127 (2) (2023)
Ibon Alkorta, Paul L A Popelier
Linking the Interatomic Exchange-Correlation Energy to Experimental J -Coupling Constants. The journal of physical chemistry. A 127 (2) (2023)
Otilia Mó, M Merced Montero-Campillo, Manuel Yáñez, Ibon Alkorta, Jose Elguero
Dispersion, Rehybridization, and Pentacoordination: Keys to Understand Clustering of Boron and Aluminum Hydrides and Halides. The journal of physical chemistry. A (2023)
Maxime Ferrer, Ibon Alkorta, Jose Elguero, Josep M Oliva-Enrich
Reactivity of a model of B 3 P 3 -doped nanographene with up to three CO 2 molecules. Scientific reports 13 (1) (2023)
Ibon Alkorta, Anthony C Legon
Reduced Nucleophilicities И B of Lewis Bases B: Is И B Independent of Whether B is Involved in a Hydrogen Bond or a Halogen Bond? ChemPlusChem 88 (2) (2023)
Carlos Martín-Fernández, Maxime Ferrer, Ibon Alkorta, M Merced Montero-Campillo, Jose Elguero, Marcos Mandado
Metastable Charged Dimers in Organometallic Species: A Look into Hydrogen Bonding between Metallocene Derivatives. Inorganic chemistry (2023)
Ibon Alkorta, Anthony C Legon
Hydrogen-Bond Dissociation Energies from the Properties of Isolated Monomers. The journal of physical chemistry. A (2023)
Ibon Alkorta, John M C Plane, Jose Elguero, Juan Z Dávalos, A Ulises Acuña, Alfonso Saiz-Lopez
Reply to the 'Comment on "Theoretical study of the NO 3 radical reaction with CH 2 ClBr, CH 2 ICl, CH 2 BrI, CHCl 2 Br, and CHClBr 2 "' by C. J. Nielsen and Y. Tang, Phys. Chem. Chem. Phys. , 2022, 24 , DOI: 10.1039/D2CP03013F. Physical chemistry chemical physics : PCCP (2023)
Maxime Ferrer, Ibon Alkorta, José Elguero, Josep M Oliva-Enrich
A theoretical study of the reaction of borata derivatives of benzene, anthracene and pentacene with CO 2 . Physical chemistry chemical physics : PCCP (2023)
Ibon Alkorta, John M C Plane, Jose Elguero, Juan Z Dávalos, A Ulises Acuña, Alfonso Saiz-Lopez
Reply to the 'Comment on "Theoretical study of the NO 3 radical reaction with CH 2 ClBr, CH 2 ICl, CH 2 BrI, CHCl 2 Br, and CHClBr 2 "' by C. J. Nielsen and Y. Tang, Phys. Chem. Chem. Phys. , 2022, 24 , DOI: 10.1039/D2CP03013F. Physical chemistry chemical physics : PCCP 25 (5) (2023)
Otilia Mó, M Merced Montero-Campillo, Manuel Yáñez, Ibon Alkorta, José Elguero
A Holistic View of the Interactions between Electron-Deficient Systems: Clustering of Beryllium and Magnesium Hydrides and Halides. Molecules (Basel, Switzerland) 28 (22) (2023)
Ibon Alkorta, Rosa M Claramunt, Jose Elguero, Enrique Gutiérrez-Puebla, M Angeles Monge, Felipe Reviriego, Christian Roussel
Study of the Addition Mechanism of 1 H -Indazole and Its 4-, 5-, 6-, and 7-Nitro Derivatives to Formaldehyde in Aqueous Hydrochloric Acid Solutions. The Journal of organic chemistry 87 (9) (2022)
Francisco Fueyo-González, Laura Espinar-Barranco, Rosario Herranz, Ibon Alkorta, Luis Crovetto, Miguel Fribourg, Jose Manuel Paredes, Ángel Orte, Juan A González-Vera
Self-Assembled Lanthanide Antenna Glutathione Sensor for the Study of Immune Cells. ACS sensors 7 (1) (2022)
Carlos Martín-Fernández, Ibon Alkorta, M Merced Montero-Campillo, Jose Elguero
Stand up for Electrostatics: The Disiloxane Case. Chemphyschem : a European journal of chemical physics and physical chemistry 23 (9) (2022)
Ibon Alkorta, John M C Plane, Jose Elguero, Juan Z Dávalos-Prado, A Ulises Acuña, Alfonso Saiz-Lopez
Theoretical study of the NO 3 radical reaction with CH 2 ClBr, CH 2 ICl, CH 2 BrI, CHCl 2 Br, and CHClBr 2 . Physical chemistry chemical physics : PCCP 24 (23) (2022)
Ibon Alkorta, Anthony C Legon
A reduced electrophilicity for simple Lewis acids A involved in non-covalent interactions with Lewis bases B. Physical chemistry chemical physics : PCCP 24 (11) (2022)
Ibon Alkorta, Anthony C Legon
Reduced nucleophilicity: an intrinsic property of the Lewis base atom interacting with H in hydrogen-bonds with Lewis acids HX (X = F, Cl, Br, I, CN, CCH, CP). Physical chemistry chemical physics : PCCP 24 (42) (2022)
Daiki Homma, Shuhei Taketani, Takeshi Shirai, Elsa Caytan, Christian Roussel, Jose Elguero, Ibon Alkorta, Osamu Kitagawa
Rotational Behavior of N -(5-Substituted-pyrimidin-2-yl)anilines: Relayed Electronic Effect in Two N-Ar Bond Rotations. The Journal of organic chemistry 87 (12) (2022)
Ibon Alkorta, María Teresa Benito, José Elguero, Elisa García Doyagüez, Monika R Patterson, María Luisa Jimeno, H V Rasika Dias, Felipe Reviriego
The use of DOSY experiments to determine the solution structures of coinage metal pyrazolates: The case of {[3,5-(CF 3 ) 2 Pz]Ag} 3 . Magnetic resonance in chemistry : MRC 60 (4) (2022)
Juan Carlos López, Ibon Alkorta, Alberto Macario, Susana Blanco
Characterizing the n→π* interaction of pyridine with small ketones: a rotational study of pyridine⋯acetone and pyridine⋯2-butanone. Physical chemistry chemical physics : PCCP 24 (25) (2022)
Maxime Ferrer, Ibon Alkorta, Jose Elguero, Josep M Oliva-Enrich
Use of 5,10-Disubstituted Dibenzoazaborines and Dibenzophosphaborines as Cyclic Supports of Frustrated Lewis Pairs for the Capture of CO 2 . Chemphyschem : a European journal of chemical physics and physical chemistry 23 (18) (2022)
M Merced Montero-Campillo, Otilia Mó, Ibon Alkorta, Jose Elguero, Manuel Yáñez
Disrupting bonding in azoles through beryllium bonds: Unexpected coordination patterns and acidity enhancement. The Journal of chemical physics 156 (19) (2022)
Manuel Yáñez, Filiberto Ortíz-Chi, Gabriel Merino, Ibon Alkorta
Dismantlement of ammonia upon interaction with Be n (n ≤ 10) clusters. Journal of computational chemistry (2022)
Ibon Alkorta, Anthony C Legon
Nucleophilicity of the boron atom in compounds R-B, (R = F, Cl, Br, I, CN, NC, CH 3 , SiH 3 , CF 3 , H): a new look at the inductive effects of the group R. Physical chemistry chemical physics : PCCP 24 (21) (2022)
Ibon Alkorta, José Elguero, Janet E Del Bene
Perturbing the O-H…O Hydrogen Bond in 1-oxo-3-hydroxy-2-propene. Molecules (Basel, Switzerland) 26 (11) (2021)
Maxime Ferrer, Ibon Alkorta, Jose Elguero, Josep M Oliva-Enrich
Sequestration of Carbon Dioxide with Frustrated Lewis Pairs Based on N-Heterocycles with Silane/Germane Groups. The journal of physical chemistry. A 125 (32) (2021)
Juan Carlos López, Alberto Macario, Assimo Maris, Ibon Alkorta, Susana Blanco
How Aromatic Fluorination Exchanges the Interaction Role of Pyridine with Carbonyl Compounds: The Formaldehyde Adduct. Chemistry (Weinheim an der Bergstrasse, Germany) 27 (55) (2021)
Ibon Alkorta, Anthony C Legon
The Electrophilicities of XCF3 and XCl (X=H, Cl, Br, I) and the Propensity of These Molecules To Form Hydrogen and Halogen Bonds with Lewis Bases: An Ab Initio Study. ChemPlusChem 86 (5) (2021)
Alberto Macario, Susana Blanco, Ibon Alkorta, Juan Carlos López
Perfluorination of Aromatic Compounds Reinforce Their van der Waals Interactions with Rare Gases: The Rotational Spectrum of Pentafluoropyridine-Ne. Molecules (Basel, Switzerland) 27 (1) (2021)
Tsai I-Ting, M Merced Montero-Campillo, Ibon Alkorta, José Elguero, Manuel Yáñez
Large Stabilization Effects by Intramolecular Beryllium Bonds in Ortho-Benzene Derivatives. Molecules (Basel, Switzerland) 26 (11) (2021)
Ramiro S Galeano Carrano, Patricio F Provasi, Marta B Ferraro, Ibon Alkorta, Jose Elguero, Stephan P A Sauer
A Density Functional Theory Study of Optical Rotation in Some Aziridine and Oxirane Derivatives. Chemphyschem : a European journal of chemical physics and physical chemistry 22 (8) (2021)
Iñigo Iribarren, Goar Sanchez-Sanz, Jose Elguero, Ibon Alkorta, Cristina Trujillo
Reactivity of Coinage Metal Hydrides for the Production of H2 Molecules. ChemistryOpen 10 (8) (2021)
Iñigo Iribarren, Goar Sanchez-Sanz, Ibon Alkorta, Jose Elguero, Cristina Trujillo
Evaluation of Electron Density Shifts in Noncovalent Interactions. The journal of physical chemistry. A 125 (22) (2021)
Felipe Reviriego, Eduardo Peña-Cabrera, Siddhant V Kokate, Ibon Alkorta, José Elguero
A static and dynamic NMR study of 10-hydrazino-BODIPY. Magnetic resonance in chemistry : MRC 59 (4) (2021)
Ibon Alkorta, Jose Elguero, H V Rasika Dias, Devaborniny Parasar, Manuel Martín Pastor
An experimental and computational NMR study of organometallic nine-membered rings: Trinuclear silver(I) complexes of pyrazolate ligands. Magnetic resonance in chemistry : MRC 58 (4) (2020)
Goar Sanchez-Sanz, Cristina Trujillo, Ibon Alkorta, Jose Elguero
Rivalry between Regium and Hydrogen Bonds Established within Diatomic Coinage Molecules and Lewis Acids/Bases. Chemphyschem : a European journal of chemical physics and physical chemistry 21 (22) (2020)
Josep M Oliva-Enrich, Ibon Alkorta, José Elguero
Hybrid Boron-Carbon Chemistry. Molecules (Basel, Switzerland) 25 (21) (2020)
Otilia Mó, M Merced Montero-Campillo, Manuel Yáñez, Ibon Alkorta, Jose Elguero
Are Anions of Cyclobutane Beryllium Derivatives Stabilized through Four-Center One-Electron Bonds? The journal of physical chemistry. A 124 (8) (2020)
Luis Miguel Azofra, Jose Elguero, Ibon Alkorta
A Conceptual DFT Study of Phosphonate Dimers: Dianions Supported by H-Bonds. The journal of physical chemistry. A 124 (11) (2020)
Janet E Del Bene, Ibon Alkorta, Jose Elguero
Complexes H2 CO:PXH2 and HCO2 H : PXH2 for X=NC, F, Cl, CN, OH, CCH, CH3 , and H: Pnicogen Bonds and Hydrogen Bonds. Chemphyschem : a European journal of chemical physics and physical chemistry 21 (8) (2020)
Ibon Alkorta, José Elguero, Cristina Trujillo, Goar Sanchez-Sanz
Interaction between Trinuclear Regium Complexes of Pyrazolate and Anions, a Computational Study. International journal of molecular sciences 21 (21) (2020)
Jose Elguero, Ibon Alkorta, Janet E Del Bene
Calculated coupling constants 1 J(X-Y) and 1 K(X-Y), and fundamental relationships among the reduced coupling constants for molecules Hm X-YHn , with X, Y ═ 1 H, 7 Li, 9 Be, 11 B, 13 C, 15 N, 17 O, 19 F, 31 P, 33 S, and 35 Cl. Magnetic resonance in chemistry : MRC 58 (8) (2020)
Josep M Oliva-Enrich, Ibon Alkorta, José Elguero
Complexes Between Adamantane Analogues B4X6 -X = {CH2, NH, O ; SiH2, PH, S} - and Dihydrogen, B4X6:nH2 (n = 1-4). Molecules (Basel, Switzerland) 25 (5) (2020)
Ibon Alkorta, Jose Elguero, Josep M Oliva-Enrich
Hydrogen vs. Halogen Bonds in 1-Halo-Closo-Carboranes. Materials (Basel, Switzerland) 13 (9) (2020)
Marta Marín-Luna, Pilar Sánchez-Andrada, Ibon Alkorta, Jose Elguero, M Carmen Torralba, Patricia Delgado-Martínez, Dolores Santa María, Rosa M Claramunt
A structural analysis of 2,5-diaryl-4H-2,4-dihydro-3H-1,2,4-triazol-3-ones: NMR in the solid state, X-ray crystallography, and GIPAW calculations. Magnetic resonance in chemistry : MRC 59 (4) (2020)
Ibon Alkorta, Arnaldo F Silva, Paul L A Popelier
An Interacting Quantum Atoms (IQA) and Relative Energy Gradient (REG) Study of the Halogen Bond with Explicit Analysis of Electron Correlation. Molecules (Basel, Switzerland) 25 (11) (2020)
Ibon Alkorta, José Elguero, Josep M Oliva-Enrich, Manuel Yáñez, Otilia Mó, M Merced Montero-Campillo
The Importance of Strain (Preorganization) in Beryllium Bonds. Molecules (Basel, Switzerland) 25 (24) (2020)
Ibon Alkorta, Jose Elguero, Janet E Del Bene, Otilia Mó, M Merced Montero-Campillo, Manuel Yáñez
Mutual Influence of Pnicogen Bonds and Beryllium Bonds: Energies and Structures in the Spotlight. The journal of physical chemistry. A 124 (28) (2020)
Matias O Miranda, Darío Jorge Roberto Duarte, Ibon Alkorta
Anion-Anion Complexes Established between Aspartate Dimers. Chemphyschem : a European journal of chemical physics and physical chemistry 21 (10) (2020)
Janet E Del Bene, Ibon Alkorta, Jose Elguero
Hydrogen bonds and halogen bonds in complexes of carbones L→C←L as electron donors to HF and ClF, for L = CO, N2, HNC, PH3, and SH2. Physical chemistry chemical physics : PCCP 22 (28) (2020)
Francisco Fueyo-González, Juan A González-Vera, Ibon Alkorta, Lourdes Infantes, Maria Luisa Jimeno, Paula Aranda, Dario Acuña-Castroviejo, Alvaro Ruiz-Arias, Ángel Orte, Rosario Herranz
Environment-Sensitive Probes for Illuminating Amyloid Aggregation In Vitro and in Zebrafish. ACS sensors 5 (9) (2020)
José Elguero, Ibon Alkorta
A Computational Study of Metallacycles Formed by Pyrazolate Ligands and the Coinage Metals M = Cu(I), Ag(I) and Au(I): (pzM)n for n = 2, 3, 4, 5 and 6. Comparison with Structures Reported in the Cambridge Crystallographic Data Center (CCDC). Molecules (Basel, Switzerland) 25 (21) (2020)
Ibon Alkorta, Jose Elguero, Alain Fruchier
Theoretical study of some λ5 -phosphinines and their NMR spectra. Magnetic resonance in chemistry : MRC 57 (11) (2019)
Joana L C Sousa, Carlos F M Silva, Ibon Alkorta, Jose Elguero
Assignment of 1 H and 13 C NMR data for three pairs of diastereomers of 4'-X benzo[1,3]cyclopropa[1,2-b]chromene-4,5-diones (X = H, OCH3 , and Cl). Magnetic resonance in chemistry : MRC 57 (8) (2019)
Esmail Vessally, Ibon Alkorta, Sheida Ahmadi, Robab Mohammadi, Akram Hosseinian
A DFT study on nanocones, nanotubes (4,0), nanosheets and fullerene C 60 as anodes in Mg-ion batteries. RSC advances 9 (2) (2019)
Janet E Del Bene, Ibon Alkorta, Jose Elguero
What Types of Noncovalent Bonds Stabilize Dimers (XCP)2, for X = CN, Cl, F, and H? The journal of physical chemistry. A 123 (46) (2019)
Eva Gougoula, Chris Medcraft, Ibon Alkorta, Nicholas R Walker, Anthony C Legon
A chalcogen-bonded complex H3N⋯S=C=S formed by ammonia and carbon disulfide characterised by chirped-pulse, broadband microwave spectroscopy. The Journal of chemical physics 150 (8) (2019)
Janet E Del Bene, Ibon Alkorta, José Elguero
N…C and S…S Interactions in Complexes, Molecules, and Transition Structures HN(CH)SX:SCO, for X = F, Cl, NC, CCH, H, and CN. Molecules (Basel, Switzerland) 24 (18) (2019)
Goar Sanchez-Sanz, Ibon Alkorta, Jose Elguero, Cristina Trujillo
Sequestration of CO2 by Phosphatrane Molecules. Chemphyschem : a European journal of chemical physics and physical chemistry 20 (23) (2019)
Ibon Alkorta, Anthony C Legon
Systematic behaviour of electron redistribution on formation of halogen-bonded complexes BXY, as determined via XY halogen nuclear quadrupole coupling constants. Physical chemistry chemical physics : PCCP 21 (31) (2019)
Marta Marín-Luna, Rosa M Claramunt, Carla I Nieto, Ibon Alkorta, Jose Elguero, Felipe Reviriego
A theoretical NMR study of polymorphism in crystal structures of azoles and benzazoles. Magnetic resonance in chemistry : MRC 57 (6) (2019)
Janet E Del Bene, Ibon Alkorta, Jose Elguero
Potential Energy Surfaces of HN(CH)SX:CO2 for X = F, Cl, NC, CN, CCH, and H: N···C Tetrel Bonds and O···S Chalcogen Bonds. The journal of physical chemistry. A 123 (33) (2019)
Ibon Alkorta, M Merced Montero-Campillo, Otilia Mó, Jose Elguero, Manuel Yáñez
Weak Interactions Get Strong: Synergy between Tetrel and Alkaline-Earth Bonds. The journal of physical chemistry. A 123 (32) (2019)
Vera L M Silva, Carlos F M Silva, Rosa M Claramunt, Dionisia Sanz, Lourdes Infantes, Ángela Martínez-López, Felipe Reviriego, Ibon Alkorta, José Elguero
An Example of Polynomial Expansion: The Reaction of 3(5)-Methyl-1H-Pyrazole with Chloroform and Characterization of the Four Isomers. Molecules (Basel, Switzerland) 24 (3) (2019)
Cristina Trujillo, Ibon Alkorta, José Elguero, Goar Sánchez-Sanz
Cooperative Effects in Weak Interactions: Enhancement of Tetrel Bonds by Intramolecular Hydrogen Bonds. Molecules (Basel, Switzerland) 24 (2) (2019)
Janet E Del Bene, Ibon Alkorta, Jose Elguero
Can a Cl-H···F Hydrogen Bond Replace a Cl···F Halogen Bond? H2XP:ClY:ZH versus H2XP:ClY:HZ for Y, Z = F, Cl. The journal of physical chemistry. A 123 (18) (2019)
Ibon Alkorta, José Elguero, Manuel Yáñez, Otilia Mó, M Merced Montero-Campillo
Relativistic Effects on NMR Parameters of Halogen-Bonded Complexes. Molecules (Basel, Switzerland) 24 (23) (2019)
Otilia Mó, M Merced Montero-Campillo, Ibon Alkorta, Jose Elguero, Manuel Yáñez
Ternary Complexes Stabilized by Chalcogen and Alkaline-Earth Bonds: Crucial Role of Cooperativity and Secondary Noncovalent Interactions. Chemistry (Weinheim an der Bergstrasse, Germany) 25 (50) (2019)
Janet E Del Bene, José Elguero, Ibon Alkorta
Complexes of CO₂ with the Azoles: Tetrel Bonds, Hydrogen Bonds and Other Secondary Interactions. Molecules (Basel, Switzerland) 23 (4) (2018)
Janet E Del Bene, Ibon Alkorta, Jose Elguero
Hydrogen and Halogen Bonding in Cyclic FH(4- n):FCl n Complexes, for n = 0-4. The journal of physical chemistry. A 122 (9) (2018)
M Merced Montero-Campillo, Otilia Mó, Manuel Yáñez, Ibon Alkorta, Jose Elguero
Be- and Mg-Based Electron and Anion Sponges. Chemphyschem : a European journal of chemical physics and physical chemistry 19 (14) (2018)
M Merced Montero-Campillo, Ibon Alkorta, José Elguero
Enhancement of Thermodynamic Gas-Phase Acidity and Basicity of Water by Means of Secondary Interactions. Chemphyschem : a European journal of chemical physics and physical chemistry 19 (19) (2018)

Ibon Alkorta.css-eqlu8i{font-size:small;padding-left:4px;} (I Alkorta)

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Ibon Alkorta (I Alkorta)