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List of works by Pablo Ballester

2-(4'-pyridyl-N-oxide)-Substituted Hemithioindigos as Photoresponsive Guests for a Super Aryl-Extended Calix[4]pyrrole Receptor.

scientific article published on 16 April 2018

3-Picoline Mediated Self-Assembly of M(II)–Malonate Complexes (M = Ni/Co/Mn/Mg/Zn/Cu) Assisted by Various Weak Forces Involving Lone Pair−π, π–π, and Anion···π–Hole Interactions

scientific article published on 03 December 2014

A Porphyrin Coordination Cage Assembled from Four Silver(I) Triazolyl-Pyridine Complexes.

scientific article published on 4 September 2015

A Theoretical Study of Anion–π Interactions in Seven-Membered Rings

scientific article published on 01 June 2007

A Theoretical ab initio Study of the Capacity of Several Binding Units for the Molecular Recognition of Anions

A Topological Analysis of the Electron Density in Anion-π Interactions

scientific article published on 01 December 2003

A colorimetric molecular probe for Cu(ii) ions based on the redox properties of Ru(ii) phthalocyanines

A combined experimental and theoretical study of the molecular inclusion of organometallic sandwich complexes in a cavitand receptor

scientific article published on 01 January 2008

A crystalline sponge based on dispersive forces suitable for X-ray structure determination of included molecular guests

scientific article published on 14 July 2015

A mono-metallic Pd(ii)-cage featuring two different polar binding sites

scientific article published on 01 January 2019

A synthetic receptor for choline and carnitine

scientific article published in November 2002

A theoretical ab initio study of [n.n]paracyclophane complexes with cations

Ab Initio Study of [n.n]Paracyclophane (n= 2, 3) Complexes with Cations: Unprecedented Through-Space Substituent Effects

scientific article published on 01 April 2006

Ab initio calculations on zinc porphyrins complexed to amines: geometrical details and NMR chemical shifts

Ab initio investigations of lithium diffusion in single-walled carbon nanotubes

Ab initio investigations of lithium insertion in boron and nitrogen-doped single-walled carbon nanotubes

An Effective Fluorescent Sensor for Choline-Containing Phospholipids

scientific article published on 01 August 1999

Anion binding in covalent and self-assembled molecular capsules.

scientific article published on 26 August 2010

Anion-pi-pi interactions in a dinuclear M2L2 metallocycle

scientific article

Anion–π Interactions: Do They Exist?

scientific article published on 01 September 2002

Anion–π interactions: must the aromatic ring be electron deficient?

Applicability of the 1H NMR chemical shifts computed by the ab initio/GIAO-HF methodology to the study of geometrical features of Zn-porphyrin dimers

Approximate Additivity of Anion−π Interactions: An Ab Initio Study on Anion−π, Anion−π2and Anion−π3Complexes

scientific article published on 01 October 2005

Attachment of a RuII Complex to a Self-Folding Hexaamide Deep Cavitand

scientific article published on 18 August 2017

Boron triel bonding: a weak electrostatic interaction lacking electron-density descriptors

Catalytic hydrogenation of norbornadiene by a rhodium complex in a self-folding cavitand.

scientific article published on October 2010

Cation-π vs anion-π interactions: a complete π-orbital analysis

article by Carolina Garau et al published November 2004 in Chemical Physics Letters

Cation−π versus Anion−π Interactions: Energetic, Charge Transfer, and Aromatic Aspects

Chalcogen Bonding and Hydrophobic Effects Force Molecules into Small Spaces

scientific article published on 12 March 2020

Characterization of a new ionophore-based ion-selective electrode for the potentiometric determination of creatinine in urine.

scientific article published on 10 August 2016

Chloride-selective electrodes based on "two-wall" aryl-extended calix[4]pyrroles: combining hydrogen bonds and anion-π interactions to achieve optimum performance

scientific article published on 31 October 2014

Complexation of Sc3N@C80 endohedral fullerene with cyclic Zn-bisporphyrins: solid state and solution studies

scientific article published on 18 March 2011

Conformational preferences and self-template macrocyclization of squaramide-based foldable modules.

scientific article published in April 2004

Conformational selectivity and high-affinity binding in the complexation of -phenyl amides in water by a phenyl extended calix[4]pyrrole

scientific article published on 07 August 2018

Correction: A crystalline sponge based on dispersive forces suitable for X-ray structure determination of included molecular guests

Crystal structures and DFT calculations of new chlorido-dimethylsulfoxide-M(III) (M = Ir, Ru, Rh) complexes with the N-pyrazolyl pyrimidine donor ligand: kinetic vs. thermodynamic isomers

scientific article published in May 2014

Crystallographic and Theoretical Evidence of Anion–π and Hydrogen-Bonding Interactions in a Squaramide–Nitrate Salt

DABCO-Induced Self-Assembly of a Trisporphyrin Double-Decker Cage: Thermodynamic Characterization and Guest Recognition

scientific article published on 01 April 2006

DABCO-directed self-assembly of bisporphyrins (DABCO=1,4-diazabicyclo[2.2.2]octane).

scientific article published in March 2005

Deep Cavitand Self-Assembled on Au NPs-MWCNT as Highly Sensitive Benzene Sensing Interface

scientific article published on 29 May 2015

Dendrimers as scaffolds for the synthesis of spherical porphyrin arrays

scientific article published on 01 January 2003

Determination of choline and derivatives with a solid-contact ion-selective electrode based on octaamide cavitand and carbon nanotubes

scientific article published on 16 July 2009

Different nature of the interactions between anions and HAT(CN)6: from reversible anion-π complexes to irreversible electron-transfer processes (HAT(CN)6 = 1,4,5,8,9,12-hexaazatriphenylene).

scientific article published on 7 February 2013

Dual Binding Mode ofs-Triazine to Anions and Cations

scientific article published on 01 June 2003

Dual binding mode of methylmethanetriacetic Acid to tripodal amidopyridine receptors.

scientific article published in December 2002

Editorial: In celebration of the 75<sup>th</sup> birthday of Professor Julius Rebek, Jr.

scientific article published in 2019

Effect of a methyl group on the spontaneous resolution of a square-pyramidal coordination compound: crystal packing and conglomerate formation

Efficient hydrogen bonding recognition in water using aryl-extended calix[4]pyrrole receptors

scientific article published on 21 December 2018

Efficient macrocyclization of preorganized palindromic oligosquaramides

scientific article published on 01 October 2006

Efficient self-sorting of a racemic tetra-urea calix[4]pyrrole into a single heterodimeric capsule

scientific article published in April 2010

Energy migration in a self-assembled nonameric porphyrinic molecular box.

scientific article published in January 2008

Enhanced Photosensitive Schottky Diode Behavior of Pyrazine over 2-Aminopyrimidine Ligand in Copper(II)-Phthalate MOFs: Experimental and Theoretical Rationalization

scientific article published on 15 August 2018

Estimation of the polarity of stationary phases by proton nuclear magnetic resonance spectroscopy application to phenyl and methyl silicones (OV and SE series)

article by A. García-Raso et al published January 1987 in Journal of Chromatography

Evidence of anion-induced dimerization of a squaramide-based host in protic solvents.

scientific article

Exclusive self-assembly of a polar dimeric capsule between tetraurea calix[4]pyrrole and tetraurea calix[4]arene

scientific article published on 26 May 2011

Experimental Quantification of Anion−π Interactions in Solution Using Neutral Host–Guest Model Systems ⬇️

scientific article published on May 23, 2012

Exploring the self-assembly of polar dimeric capsules using molecular rulers

scientific article published on 31 October 2012

Fluorescent Supramolecular Polymers: Metal Directed Self-Assembly of Perylene Bisimide Building Blocks

Guest Exchange Mechanisms in Mono-Metallic PdII /PtII -Cages Based on a Tetra-Pyridyl Calix[4]pyrrole Ligand

scientific article published on 24 September 2019

Highly cooperative binding of ion-pair dimers and ion quartets by a bis(calix[4]pyrrole) macrotricyclic receptor

scientific article

Hybrid cavitand-resorcin[4]arene receptor for the selective binding of choline and related compounds in protic media

scientific article published on 01 August 2006

Hydrogen Bonded Squaramide-Based Foldable Module Induces Both β- and α-Turns in Hairpin Structures of α-Peptides in Water

scientific article published on 02 June 2015

Hydrogen bonded supramolecular capsules with functionalized interiors: the controlled orientation of included guests.

scientific article published on April 2013

Inclusion of cavitands and calix[4]arenes into a metallobridged para-(1h-imidazo[4,5-f][3,8]phenanthrolin-2-yl)-expanded calix[4]arene

scientific article

Induced-Polarization Energy Map:  A Helpful Tool for Predicting Geometric Features of Anion-π Complexes

scientific article published on 01 November 2007

Influence of the Attachment of a Gold(I) Phosphine Moiety at the Upper Rim of a Calix[4]pyrrole on the Binding of Tetraalkylammonium Chloride Salts

scientific article published on 19 February 2020

Influence of the Insertion Method of Aryl-Extended Calix[4]pyrroles into Liposomal Membranes on Their Properties as Anion Carriers

scientific article published on 04 March 2019

Influence of the solvent and metal center on supramolecular chirality induction with bisporphyrin tweezer receptors. Strong metal modulation of effective molarity values

scientific article published on 28 March 2012

Interaction energies and dynamics of acid-base pairs isolated in cavitands.

scientific article

Interplay Between Cation-π, Anion-π and π-π Interactions

scientific article published on 01 December 2006

Intramolecular azide-alkyne cycloaddition for the fast assembly of structurally diverse, tricyclic 1,2,3-triazoles

scientific article published on 19 March 2008

Ion-pair recognition by a neutral [2]rotaxane based on a bis-calix[4]pyrrole cyclic component

scientific article published on 31 August 2016

Ionophore-Based Optical Sensor for Urine Creatinine Determination

scientific article published on 01 February 2019

Kinetic stabilization of N,N-dimethyl-2-propyn-1-amine N-oxide by encapsulation

scientific article published on 19 September 2013

Light-responsive molecular containers.

scientific article

MP2 Study of synergistic effects between X–H/π (X = C,N,O) and π–π interactions

article published in 2008

MP2 study of anion–π complexes of trifluoro-s-triazine with tetrahedral and octahedral anions

MP2 study of cation-(pi)n-pi interactions (n = 1-4).

scientific article published on August 2006

MP2 study of cooperative effects between cation–π, anion–π and π–π interactions

MP2 study of the dual sigma/pi-anion-binding affinity of fluorinated phthallic acid anhydrides.

scientific article

Molecular Motion and Conformational Interconversion of Ir(I)·COD Included in Rebek's Self-Folding Octaamide Cavitand

scientific article published on 9 February 2016

Molecular acrobatics: self-assembly of calixarene-porphyrin cages

scientific article published in November 2003

Molecular containers

scientific article published on 01 January 2015

Molecular inclusion of organometallic sandwich complexes within hybrid cavitand-resorcin[4]arene receptors

scientific article published on 14 August 2007

Molecular recognition and self-assembly special feature: Self-assembly of dimeric tetraurea calix[4]pyrrole capsules

scholarly article

Molecular recognition of pyridine N-oxides in water using calix[4]pyrrole receptors

scientific article

Molecular recognition: Watson-Crick, Hoogsteen, and bifurcated hydrogen bonding in a model for adenine recognition

scientific article published in 1987

Moving systems of polar dimeric capsules out of thermal equilibrium by light irradiation

scientific article published on 01 February 2016

Multivalent recognition of bis- and tris-Zn-porphyrins by N-methylimidazole functionalized gold nanoparticles

scientific article published in April 2003

Nature of noncovalent carbon-bonding interactions derived from experimental charge-density analysis

scientific article published on 22 June 2015

OPLS all-atom force field for squaramides and squaric acid

Oligoamide Foldamers as Helical Chloride Receptors-the Influence of Electron-Withdrawing Substituents on Anion-Binding Interactions

scientific article published on 07 February 2019

On the importance of non covalent interactions in the structure of coordination Cu(ii) and Co(ii) complexes of pyrazine- and pyridine-dicarboxylic acid derivatives: experimental and theoretical views

Optical Supramolecular Sensing of Creatinine

scientific article published on 21 February 2020

Ordered co-encapsulation of chloride with polar neutral guests in a tetraurea calix[4]pyrrole dimeric capsule

scientific article published on 20 July 2015

Polyatomic anion assistance in the assembly of [2]pseudorotaxanes

scientific article published on 23 March 2012

Predicting Experimental Complexation-Induced Changes in1H NMR Chemical Shift for Complexes between Zinc-Porphyrins and Amines Using the ab Initio/GIAO-HF Methodology

scientific article published on 01 February 2002

Preservation of electronic properties of double-decker complexes on metallic supports.

scientific article published on 9 March 2017

Quantification of Aromaticity in Oxocarbons: The Problem of the Fictitious “Nonaromatic” Reference System

Quantification of CH-π Interactions Using Calix[4]pyrrole Receptors as Model Systems

scientific article published on 14 September 2015

Quantification of aromaticity in oxocarbons: the problem of the fictitious "nonaromatic" reference system

scientific article published on 01 January 2002

Quantification of nitrate-π interactions and selective transport of nitrate using calix[4]pyrroles with two aromatic walls

scientific article published on 24 May 2013

Quantitative evaluation of anion-pi interactions in solution

scientific article published on 01 January 2008

Rational Design, Synthesis, and Application of a New Receptor for the Molecular Recognition of Tricarboxylate Salts in Aqueous Media

scientific article published on 01 September 2006

Rationalization of Noncovalent Interactions within Six New MII/8-Aminoquinoline Supramolecular Complexes (MII = Mn, Cu, and Cd): A Combined Experimental and Theoretical DFT Study

Reactivity and molecular recognition: amine methylation by an introverted ester

scientific article

Recognition and Sensing of Creatinine.

scientific article published on 8 January 2016

Reconciling experiment and theory in the use of aryl-extended calix[4]pyrrole receptors for the experimental quantification of chloride-π interactions in solution.

scientific article published on 22 April 2015

Regioisomeric control induced by DABCO coordination to rotatable self-assembled bis- and tetraporphyrin α,γ-cyclic octapeptide dimers

scientific article published on 01 December 2010

Resolving the Magnetic Asymmetry of the Inner Space in Self-assembled Dimeric Capsules Based on Tetraurea-calix[4]pyrrole Components

scientific article published on 01 January 2015

Reversible Light-Controlled Cargo Release in Hydrogen-Bonded Dimeric Capsules.

scientific article published on 22 October 2015

Selective binding of cis-1,3,5-cyclohexane tricarboxylic acid vs its epimeric trans isomer by a tripodal amidopyridine receptor; crystal structures of the 1:1 complexes

scientific article published on 01 January 2001

Selective pairwise encapsulation using directional interactions

scientific article published in March 2010

Self-Assembly of Di-N-Heterocyclic Carbene-Gold-Adorned Corannulenes on C60.

scientific article published on 26 May 2017

Self-Sorting of Cyclic Peptide Homodimers into a Heterodimeric Assembly Featuring an Efficient Photoinduced Intramolecular Electron-Transfer Process

scientific article published on 01 March 2014

Self-assembly of [2]rotaxane exploiting reversible Pt(II)- pyridine coordinate bonds.

scientific article published on 30 April 2004

Self-assembly of double-decker cages induced by coordination of perylene bisimide with a trimeric Zn porphyrin: study of the electron transfer dynamics between the two photoactive components.

scientific article published on 4 February 2009

Self-assembly, binding, and dynamic properties of heterodimeric porphyrin macrocycles.

scientific article published in August 2005

Single-molecule-magnet behavior in the family of [Ln(OETAP)2] double-decker complexes (Ln=lanthanide, OETAP=octa(ethyl)tetraazaporphyrin)

scientific article published on 18 August 2014

Sodium and pH responsive hydrogel formation by the supramolecular system calix[4]pyrrole derivative/tetramethylammonium cation

scientific article published in 2011

Solid lipid nanoparticles from amphiphilic calixpyrroles

scientific article published on 10 November 2015

Solid-state inclusion of C60 and C70 in a co-polymer induced by metal–ligand coordination of a Zn–porphyrin cage with a bis-pyridyl perylene derivative

Solid-state self-assembly of a calix[4]pyrrole-resorcinarene hybrid into a hexameric cage

scientific article published on 10 March 2007

Stabilization of reactive species by supramolecular encapsulation.

scientific article

Stereoselective Synthesis of Lower and Upper Rim Functionalized Tetra-α Isomers of Calix[4]pyrroles

scientific article published on 13 December 2016

Structural and energetic features of single-walled carbon nanotube junctions: a theoretical ab initio study

Structurally simple, modular amino alcohols for the recognition of carboxylic acids. Application to the development of a new chiral solvating agent

scientific article published on 01 November 2005

Structure and Binding Energy of Anion−π and Cation−π Complexes: A Comparison of MP2, RI-MP2, DFT, and DF-DFT Methods

scientific article published on 01 May 2005

Super Aryl-Extended Calix[4]pyrroles: Synthesis, Binding Studies, and Attempts To Gain Water Solubility.

scientific article published on 9 August 2016

Supramolecular Inclusion Complexes of Two Cyclic Zinc Bisporphyrins with C60 and C70: Structural, Thermodynamic, and Photophysical Characterization

scientific article published on 17 November 2011

Supramolecular catalysis. Part 1: non-covalent interactions as a tool for building and modifying homogeneous catalysts

scientific article

Supramolecular catalysis. Part 2: artificial enzyme mimics.

scientific article published on 23 December 2013

Switching from Negative-Cooperativity to No-Cooperativity in the Binding of Ion-Pair Dimers by a Bis(calix[4]pyrrole) Macrocycle

scientific article published on 24 October 2018

Switching from Separated to Contact Ion-Pair Binding Modes with Diastereomeric Calix[4]pyrrole Bis-phosphonate Receptors

scientific article published on 30 July 2012

Synthesis and Dimerization Studies of a Lipophilic Photoresponsive Aryl-Extended Tetraurea-Calix[4]pyrrole.

scientific article

Synthesis, X-ray characterization and DFT studies of N-benzimidazolyl-pyrimidine–M(ii) complexes (M = Cu, Co and Ni): the prominent role of π-hole and anion–π interactions

Synthesis, structural characterization and anion binding studies of palladium macrocycles with hydrogen-bonding ligands

scientific article published on 29 June 2007

Synthesis, structure, and binding properties of lipophilic cavitands based on a calix[4]pyrrole-resorcinarene hybrid scaffold

scientific article published on 30 May 2014

Template-directed self-assembly of dynamic covalent capsules with polar interiors.

scientific article published on 26 September 2017

Tetra-phosphonate calix[4]pyrrole cavitands as multitopic receptors for the recognition of ion pairs

scientific article published on 02 February 2015

The effect of complex stoichiometry in supramolecular chirality transfer to zinc bisporphyrin systems

scientific article published on 8 October 2008

The use of Mo Kα radiation in the assignment of the absolute configuration of light-atom molecules; the importance of high-resolution data

scientific article

Thermal selectivity of intermolecular versus intramolecular reactions on surfaces.

scientific article

Thermodynamic characterization of halide-π interactions in solution using "two-wall" aryl extended calix[4]pyrroles as model system

scientific article published on 17 February 2014

Thermodynamic characterization of the self-assembly process of a three component heterobimetallic bisporphyrin macrocycle

scientific article

Water-soluble aryl-extended calix[4]pyrroles with unperturbed aromatic cavities: synthesis and binding studies

scientific article published on 04 December 2014

Weak C−H/π Interaction Participates in the Diastereoselectivity of a Host−Guest Complex in the Presence of Six Strong Hydrogen Bonds

scientific article published on 01 April 2003

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