Goar Sánchez‐Sanz

发表

Solvent and Substituent Effects on the Phosphine + CO2 Reaction

J. Elguero, I. Alkorta, Cristina Trujillo, 2018, Inorganics.

A theoretical study on the aromaticity of benzene and related derivatives incorporating a C–CC–C fragment

J. Elguero, Cristina Trujillo, I. Rozas, 2013 .

Interaction between Trinuclear Regium Complexes of Pyrazolate and Anions, a Computational Study

J. Elguero, I. Alkorta, Cristina Trujillo, 2020, International journal of molecular sciences.

Modulation of in:out and out:out conformations in [X.X'.X''] phosphatranes by Lewis acids.

J. Elguero, I. Alkorta, Cristina Trujillo, 2017, Physical chemistry chemical physics : PCCP.

Modulating intramolecular P···N pnictogen interactions.

J. Elguero, I. Alkorta, Cristina Trujillo, 2016, Physical chemistry chemical physics : PCCP.

Pnicogen bonds between X═PH3 (X = O, S, NH, CH2) and phosphorus and nitrogen bases.

J. Elguero, I. Alkorta, Janet E. Del Bene, 2014, The journal of physical chemistry. A.

Exploring (NH2F)2, H2FP:NFH2, and (PH2F)2 potential surfaces: hydrogen bonds or pnicogen bonds?

J. Elguero, I. Alkorta, Janet E. Del Bene, 2013, The journal of physical chemistry. A.

Variations in the structures and binding energies of binary complexes with HBO

J. Elguero, I. Alkorta, J. D. Bene, 2012 .

Theoretical study of the stability of small triply charged carbon clusters Cn3+ (n = 3–12)

M. Alcamí, F. Martín, S. Díaz-Tendero, 2011 .

Strong interactions between copper halides and unsaturated systems: new metallocycles? Or the importance of deformation.

M. Yáñez, J. Elguero, I. Alkorta, 2012, Physical chemistry chemical physics : PCCP.

The tautomeric structures of 3(5),3′(5′)-azopyrazole [(E)-1,2-di(1H-pyrazol-3(5)-yl)diazene)]: The combined use of NMR and electronic spectroscopies with DFT calculations

J. Elguero, A. Perona, I. Alkorta, 2012 .

A theoretical study of the conformation of 2,2′-bifuran, 2,2′-bithiophene, 2,2′-bitellurophene and mixed derivatives: Chalcogen–chalcogen interactions or dipole–dipole effects?

J. Elguero, I. Alkorta, Goar Sánchez‐Sanz, 2011 .

PP-Rotation, P-Inversion and Metathesis in Diphosphines Studied by DFT Calculations: Comments on Some Literature Conflicts

D. Gilheany, Goar Sánchez‐Sanz, A. Molloy, 2016 .

An insight on the aromatic changes in closed shell icosagen, tetrel, and pnictogen phenalenyl derivatives

J. Elguero, I. Alkorta, Cristina Trujillo, 2017, Structural Chemistry.

Aromatic changes in isoelectronic derivatives of phenalenyl radicals by central carbon replacement

J. Elguero, I. Alkorta, Cristina Trujillo, 2016 .

Aromatic behaviour of benzene and naphthalene upon pnictogen substitution

Goar Sánchez‐Sanz, 2015 .

Influence of fluoro and cyano substituents in the aromatic and antiaromatic characteristics of cyclooctatetraene.

I. Alkorta, Cristina Trujillo, I. Rozas, 2015, Physical chemistry chemical physics : PCCP.

Non-covalent interactions: complexes of guanidinium with DNA and RNA nucleobases.

J. Elguero, I. Alkorta, Cristina Trujillo, 2013, The journal of physical chemistry. B.

Simultaneous interactions of anions and cations with cyclohexane and adamantane: aliphatic cyclic hydrocarbons as charge insulators.

J. Elguero, I. Alkorta, Cristina Trujillo, 2011, The journal of physical chemistry. A.

Discovery of a photochemical cascade process by flow-based interception of isomerising alkenes†

M. Baumann, A. Batsanov, Cristina Trujillo, 2021, Chemical science.

A theoretical NMR study of the structure of benzynes and some of their carbocyclic and heterocyclic analogs

J. Elguero, I. Alkorta, Cristina Trujillo, 2012 .

Thiophene/thiazole-benzene replacement on guanidine derivatives targeting α2-Adrenoceptors.

Cristina Trujillo, C. Muguruza, L. Callado, 2017, European journal of medicinal chemistry.

Effective Hamiltonian parameters for ab initio energy-level calculations of SrCl2:Yb2+ and CsCaBr3:Yb2+

Alexander J. Salkeld, M. F. Reid, L. Seijo, 2013, Journal of physics. Condensed matter : an Institute of Physics journal.

Yb2+-doped SrCl2: electronic structure of impurity states and impurity-trapped excitons.

L. Seijo, Z. Barandiarán, Goar Sánchez‐Sanz, 2010, The Journal of chemical physics.

Electronic spectra of Yb2+-doped SrCl2.

L. Seijo, Z. Barandiarán, Goar Sánchez‐Sanz, 2010, The Journal of chemical physics.

The structure of glibenclamide in the solid state

J. Elguero, I. Alkorta, D. Sanz, 2012, Magnetic resonance in chemistry : MRC.

Reduction of Substituted Benzo-Fused Cyclic Sulfonamides with Mg-MeOH: An Experimental and Computational Study

P. Evans, Goar Sánchez‐Sanz, A. Khalifa, 2022, The Journal of organic chemistry.

An NMR and Computational Study of Azolo[a]pyrimidines with Special Emphasis on Pyrazolo[1,5‐a]pyrimidines

J. Elguero, Virender Kumar, R. Aggarwal, 2015 .

Solvent effects on guanidinium-anion interactions and the problem of guanidinium Y-aromaticity

J. Elguero, I. Alkorta, I. Rozas, 2013 .

Divergent pathways and competitive mechanisms of metathesis reactions between 3-arylprop-2-ynyl esters and aldehydes: an experimental and theoretical study.

Ieva Karpavičienė, I. Čikotienė, U. Jahn, 2014, Chemistry.

The Lewis acidities of gold(I) and gold(III) derivatives: a theoretical study of complexes of AuCl and AuCl3

J. Elguero, I. Alkorta, Cristina Trujillo, 2020, Structural Chemistry.

Conversions of sulfone-containing vinyl azides to vinyl triazoles and enamides

P. Evans, Goar Sánchez‐Sanz, N. Collins, 2021 .

Isomerisation of Vinyl Sulfones for the Stereoselective Synthesis of Vinyl Azides

P. Evans, Goar Sánchez‐Sanz, Robert Connon, 2020 .

A Study of π-π Stacking Interactions and Aromaticity in Polycyclic Aromatic Hydrocarbon/Nucleobase Complexes.

Cristina Trujillo, Goar Sánchez‐Sanz, 2016, Chemphyschem : a European journal of chemical physics and physical chemistry.

Resonance assisted hydrogen bonds in open-chain and cyclic structures of malonaldehyde enol: A theoretical study

M. Yáñez, J. Elguero, I. Alkorta, 2013 .

Intramolecular pnicogen interactions in phosphorus and arsenic analogues of proton sponges.

J. Elguero, I. Alkorta, Cristina Trujillo, 2014, Physical chemistry chemical physics : PCCP.

Structure, binding energy and chiral discrimination in oxathiirane homodimers

I. Alkorta, Cristina Trujillo, Goar Sánchez‐Sanz, 2016 .

Synthesis and Cytotoxicity Studies of Novel NHC*-Gold(I) Complexes Derived from Lepidiline A

H. Müller‐Bunz, R. Schobert, M. Rothemund, 2018, Molecules.

Anion Recognition by Neutral and Cationic Iodotriazole Halogen Bonding Scaffolds

Cristina Trujillo, Goar Sánchez‐Sanz, Iñigo Iribarren, 2020, Molecules.

Improvement of Anion Transport Systems by Modulation of Chalcogen Interactions: The influence of solvent.

Cristina Trujillo, Goar Sánchez‐Sanz, 2018, The journal of physical chemistry. A.

A computational study on 3-azonia-, 3-phosphonia-, and 3-arsoniaspiro[2.2]pentanes and related three-membered heterocycles.

J. Elguero, I. Alkorta, Cristina Trujillo, 2014, Chemphyschem : a European journal of chemical physics and physical chemistry.

Rivalry between regium and hydrogen bonds established within diatomic coinage molecules and Lewis acids/bases.

J. Elguero, I. Alkorta, Cristina Trujillo, 2020, Chemphyschem : a European journal of chemical physics and physical chemistry.

Thermodynamic and hydrogen-bond basicity of phosphine oxides: Effect of the ring strain

J. Elguero, I. Alkorta, Cristina Trujillo, 2012 .

Intermolecular weak interactions in HTeXH dimers (X=O, S, Se, Te): hydrogen bonds, chalcogen-chalcogen contacts and chiral discrimination.

J. Elguero, I. Alkorta, Cristina Trujillo, 2012, Chemphyschem : a European journal of chemical physics and physical chemistry.

Intermolecular spin-spin coupling constants between 31P atoms

J. Elguero, I. Alkorta, D. Sanz, 2013 .

Understanding Regium Bonds and their Competition with Hydrogen Bonds in Au 2 :HX Complexes

J. Elguero, I. Alkorta, Goar Sánchez‐Sanz, 2019, ChemPhysChem.

Understanding Regium Bonds and their Competition with Hydrogen Bonds in Au2 :HX Complexes.

J. Elguero, I. Alkorta, Cristina Trujillo, 2019, Chemphyschem : a European journal of chemical physics and physical chemistry.

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

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

A theoretical study of six-membered rings containing the –N=S–S=N– motif

J. Elguero, I. Alkorta, L. M. Azofra, 2012, Structural Chemistry.

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

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

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

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

Weak interactions between hypohalous acids and dimethylchalcogens.

J. Elguero, I. Alkorta, Cristina Trujillo, 2012, Physical chemistry chemical physics : PCCP.

A theoretical investigation of the mechanism of formation of a simplified analog of the green fluorescent protein (GFP) from a peptide model

J. Elguero, I. Alkorta, Cristina Trujillo, 2013, Structural Chemistry.

A theoretical reappraisal of the cyclol hypothesis

J. Elguero, I. Alkorta, Cristina Trujillo, 2012, Structural Chemistry.

Theoretical study of the HXYH dimers (X, Y = O, S, Se). Hydrogen bonding and chalcogen–chalcogen interactions

J. Elguero, I. Alkorta, Goar Sánchez‐Sanz, 2011 .

Homo- and heterochiral dimers (PHFX)2, X = Cl, CN, CH3, NC: To what extent do they differ?

J. Elguero, I. Alkorta, J. D. Bene, 2012 .

MST2-RASSF protein-protein interactions through SARAH domains

Lan K. Nguyen, Walter Kolch, Goar Sánchez-Sanz, 2016, Briefings Bioinform..

Guanidine complexes of platinum: a theoretical study.

Marta Marín‐Luna, I. Rozas, Goar Sánchez‐Sanz, 2014, The journal of physical chemistry. A.

Electron density shift description of non-bonding intramolecular interactions

J. Elguero, I. Alkorta, Cristina Trujillo, 2012 .

Ab Initio Study of Cooperative Effects in Complexes X:HBO:Z, with X, Z=LiH, HNC, HF, HCN, HCl, ClF, and HBO: Structures, Binding Energies, and Spin-Spin Coupling Constants across Intermolecular Bonds

J. Elguero, I. Alkorta, Janet E. Del Bene, 2013 .

Regium Bonds between Silver(I) Pyrazolates Dinuclear Complexes and Lewis Bases (N2, OH2, NCH, SH2, NH3, PH3, CO and CNH)

J. Elguero, I. Alkorta, Cristina Trujillo, 2020, Crystals.

Sequestration of CO2 by Phosphatrane Molecules.

J. Elguero, I. Alkorta, Cristina Trujillo, 2019, Chemphyschem : a European journal of chemical physics and physical chemistry.

Theoretical investigation of cyano-chalcogen dimers and their importance in molecular recognition.

V. Previtali, Cristina Trujillo, Goar Sánchez‐Sanz, 2019, Chemphyschem : a European journal of chemical physics and physical chemistry.

Cooperative Effects in Weak Interactions: Enhancement of Tetrel Bonds by Intramolecular Hydrogen Bonds

J. Elguero, I. Alkorta, Cristina Trujillo, 2019, Molecules.

Enhancing Intramolecular Chalcogen Interactions in 1-Hydroxy-8-YH-naphthalene Derivatives.

J. Elguero, I. Alkorta, Cristina Trujillo, 2017, The journal of physical chemistry. A.

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 Study of Intramolecular Interactions in Peri-Substituted Naphthalenes: Chalcogen and Hydrogen Bonds

J. Elguero, I. Alkorta, Goar Sánchez‐Sanz, 2017, Molecules.

Weak interactions within nitryl halide heterodimers

D. Quiñonero, J. Elguero, I. Alkorta, 2016 .

Competition between intramolecular hydrogen and pnictogen bonds in protonated systems

J. Elguero, I. Alkorta, Cristina Trujillo, 2016, Theoretical Chemistry Accounts.

Halogen, chalcogen and pnictogen interactions in (XNO2)2 homodimers (X = F, Cl, Br, I)

J. Elguero, I. Alkorta, Cristina Trujillo, 2015 .

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.

Isomerization barriers in bis(4H-thiopyran) and in bithioxanthenes

J. Elguero, I. Alkorta, Goar Sánchez‐Sanz, 2011 .

Energy level shifts in two-step spin-orbit coupling ab initio calculations

L. Seijo, Z. Barandiarán, Goar Sánchez‐Sanz, 2010 .

Energy Shift of the 4f 136s 1 Excited States of Yb2+ from Gas Phase to the CsCaBr3 Solid

L. Seijo, Z. Barandiarán, Goar Sánchez‐Sanz, 2010 .

Spin-forbidden and spin-enabled 4f(14)-->4f(13)5d(1) transitions of Yb(2+)-doped CsCaBr3.

L. Seijo, Z. Barandiarán, Goar Sánchez‐Sanz, 2009, The Journal of chemical physics.

SARAH Domain-Mediated MST2-RASSF Dimeric Interactions

Boris N. Kholodenko, Lan K. Nguyen, Walter Kolch, 2016, PLoS Comput. Biol..

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.

Cyclohexane-Based Scaffold Molecules Acting as Anion Transport, Anionophores, via Noncovalent Interactions

Goar Sánchez-Sanz, Cristina Trujillo, Cristina Trujillo, 2019, J. Chem. Inf. Model..

In-vitro and in-vivo investigations into the carbene-gold anticancer drug candidates NHC*-Au-SCSNMe2 and NHC*-Au-S-GLUC against advanced prostate cancer PC3

A. Sterner-Kock, W. Walther, H. Müller‐Bunz, 2020, Anti-cancer drugs.

A theoretical study of 1:1 and 1:2 complexes of acetylene with nitrosyl hydride

I. Alkorta, Goar Sánchez‐Sanz, M. Solimannejad, 2012, Structural Chemistry.

Conformational studies of Gram-negative bacterial quorum sensing 3-oxo N-acyl homoserine lactone molecules.

Goar Sánchez‐Sanz, E. Carey, F. Kelleher, 2017, Bioorganic & medicinal chemistry.

Synthesis and anticancer activity of novel NHC-gold(I)-sugar complexes

M. Tacke, Xiangming Zhu, Goar Sánchez‐Sanz, 2018, Tetrahedron Letters.

Conformational studies of Gram-negative bacterial quorum sensing acyl homoserine lactone (AHL) molecules: The importance of the n → π* interaction.

Goar Sánchez‐Sanz, E. Carey, F. Kelleher, 2018, Biophysical chemistry.

Modulating intramolecular chalcogen bonds in aromatic (thio)(seleno)phene-based derivatives.

J. Elguero, I. Alkorta, Cristina Trujillo, 2019, Physical chemistry chemical physics : PCCP.

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, 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.

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.

A theoretical study of the parent NH-benzazoles (benzimidazoles, indazoles and benzotriazoles): Geometries, energies, acidity and basicity, NMR properties and molecular electrostatic potentials

J. Elguero, I. Alkorta, R. Claramunt, 2012 .

Intramolecular pnicogen interactions in PHF-(CH2)(n)-PHF (n=2-6) systems.

J. Elguero, I. Alkorta, Cristina Trujillo, 2013, Chemphyschem : a European journal of chemical physics and physical chemistry.

Interplay of F-H···F hydrogen bonds and P···N pnicogen bonds.

J. Elguero, I. Alkorta, Goar Sánchez‐Sanz, 2012, The journal of physical chemistry. A.

Influence of Hydrogen Bonds on the P···P Pnicogen Bond.

J. Elguero, I. Alkorta, Janet E. Del Bene, 2012, Journal of chemical theory and computation.

Cation-π vs. π-π interactions: Complexes of 2-pyridinylguanidinium derivatives and aromatic systems

B. Kelly, I. Rozas, F. Blanco, 2012 .

Repository of the Max Delbrück Center for Molecular Medicine (MDC) in the Helmholtz Association

W. Walther, I. Ott, M. Tacke, 2023 .

Theoretical study of cyanophosphines: Pnicogen vs. dipole–dipole interactions

J. Elguero, I. Alkorta, Cristina Trujillo, 2015 .

MST2-RASSF protein-protein interactions through SARAH domains

B. Kholodenko, W. Kolch, D. Matallanas, 2016, Briefings Bioinform..

Linear free energy relationships in halogen bonds

J. Elguero, I. Alkorta, Goar Sánchez‐Sanz, 2013 .

Planarity or Nonplanarity: Modulating Guanidine Derivatives as α2-Adrenoceptors Ligands

Goar Sánchez-Sanz, Cristina Trujillo, Brendan Twamley, 2019, J. Chem. Inf. Model..

Modulating intramolecular P···N pnictogen interactions.

J. Elguero, I. Alkorta, Cristina Trujillo, 2016, Physical chemistry chemical physics : PCCP.

Influence of Lewis acids on the symmetric S_N2 reaction

J. Elguero, I. Alkorta, Cristina Trujillo, 2023, Theoretical Chemistry Accounts.

Evaluation of Electron Density Shifts in Noncovalent Interactions

J. Elguero, I. Alkorta, Cristina Trujillo, 2021, The journal of physical chemistry. A.

Linear free energy relationships in halogen bonds 3

J. Elguero, I. Alkorta, Goar Sánchez‐Sanz, 2013 .

Divergent pathways and competitive mechanisms of metathesis reactions between 3-arylprop-2-ynyl esters and aldehydes: an experimental and theoretical study.

Ieva Karpavičienė, I. Čikotienė, U. Jahn, 2014, Chemistry.

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

J. Elguero, I. Alkorta, Janet E. Del Bene, 2013, The journal of physical chemistry. A.