Cation-p versus Anion-p Interactions: Energetic, Charge Transfer, and Aromatic Aspects. Garau, Carolina; Frontera, Antonio; Quinonero, David; Ballester, Pablo; Costa, Antoni; Deya, Pere M. Journal of Physical Chemistry A(2004),108(43),9423-9427.

Structural and Energetic Features of Single-Walled Carbon Nanotube Junctions: a Theoretical ab Initio Study. Garau, Carolina; Frontera, Antonio; Quinonero, David; Costa, Antoni; Ballester, Pablo; Deya, Pere M. Chemical Physics(2004),303(3),265-270.

Cation-p versus Anion-p Interactions: a Comparative Ab Initio Study Based on Energetic, Electron Charge Density and Aromatic Features. Garau, Carolina; Frontera, Antonio; Quinonero, David; Ballester, Pau; Costa, Antonio; Deya, Pere M. Chemical Physics Letters(2004),392(1-3),85-89.

Self-Assembly of [2]Rotaxane Exploiting Reversible Pt(II)-Pyridine Coordinate Bonds. Ballester, Pablo; Capo, Magdalena; Costa, Antoni; Deya, Pere M.; Frontera, Antoni; Gomila, Rosa. Molecules(2004),9(5),278-286.

Evaluation of Anion Selectivity in Protic Media by Squaramide-Cresol Red Ensembles. Neus Pina, M.; Rotger, M. Carmen; Costa, Antoni; Ballester, Pablo; Deya, Pere M. Tetrahedron Letters(2004),45(19),3749-3752.

DABCO-Directed Self-Assembly of Zn Bis-Porphyrins: 1:1 Complexes and 2:2 Molecular Assemblies. Ballester, Pablo; Costa, Antoni; Deya, Pere M.; Frontera, Antonio; Gomila, Rosa M.; Hunter, Christopher A. Abstracts of Papers, 227th ACS National Meeting, Anaheim, CA, United States, March 28-April 1, 2004(2004),ORGN-150.

Conformational Preferences and Self-Template Macrocyclization of Squaramide-Based Foldable Modules. Rotger, M. Carmen; Pina, M. Neus; Frontera, Antonio; Martorell, Gabriel; Ballester, Pablo; Deya, Pere M.; Costa, Antoni. Journal of Organic Chemistry(2004),69(7),2302-2308.

A 'Naked-Eye' Chemosensor System for Phytate. Morey, Jeroni; Orell, Maria; Barcelo, Miquel Angel; Deya, Pere M.; Costa, Antoni; Ballester, Pablo. Tetrahedron Letters(2004),45(6),1261-1265.

Ab Initio Investigations of Lithium Diffusion in Single-Walled Carbon Nanotubes. Garau, Carolina; Frontera, Antonio; Quinonero, David; Costa, Antoni; Ballester, Pablo; Deya, Pere M.. Chemical Physics(2004),297(1-3),85-91.

 

A Topological Analysis of the Electron Density in Anion-p Interactions. Garau, Carolina; Frontera, Antonio; Quinonero, David; Ballester, Pablo; Costa, Antoni; Deya, Pere M.. ChemPhysChem(2003),4(12),1344-1348.

Anion-p Interactions in Five-Membered Rings: a Combined Crystallographic and ab Initio Study. Garau, Carolina; Frontera, Antonio; Quinonero, David; Ballester, Pau; Costa, Antonio; Deya, Pere M.. Chemical Physics Letters(2003),382(5,6),534-540.

Thermodynamic Study on Supramolecular Complex Formation of Theophylline Derivates with a Synthetic Receptor. Morey, Jeroni; Ballester, Pablo; Barcelo, Miquel Angel; Costa, Antoni; Deya, Pere M.. Tetrahedron Letters(2003),44(29),5515-5517.

Lithium Diffusion in Single-Walled Carbon Nanotubes: a Theoretical Study. Garau, Carolina; Frontera, Antonio; Quinonero, David; Costa, Antoni; Ballester, Pau; Deya, Pere M.. Chemical Physics Letters(2003),374(5,6),548-555.

Dual Binding Mode of s-Triazine to Anions and Cations. Garau, Carolina; Quinonero, David; Frontera, Antonio; Ballester, Pablo; Costa, Antoni; Deya, Pere M.. Organic Letters(2003),5(13),2227-2229.

Weak C-H/p Interaction Participates in the Diastereoselectivity of a Host-Guest Complex in the Presence of Six Strong Hydrogen Bonds. Frontera, Antonio; Garau, Carolina; Quinonero, David; Ballester, Pablo; Costa, Antoni; Deya, Pere M.. Organic Letters(2003),5(7),1135-1138.

s-Tetrazine as a New Binding Unit in Molecular Recognition of Anions. Garau, Carolina; Quinonero, David; Frontera, Antonio; Costa, Antoni; Ballester, Pau; Deya, Pere M.. Chemical Physics Letters(2003),370(1,2),7-13.

Anion-p Interactions: Must the Aromatic Ring Be Electron Deficient? Garau, Carolina; Quinonero, David; Frontera, Antonio; Ballester, Pablo; Costa, Antonio; Deya, Pere M.. New Journal of Chemistry(2003),27(2),211-214.

 

Dual Binding Mode of Methylmethanetriacetic Acid to Tripodal Amidopyridine Receptors. Ballester, Pablo; Capo, Magdalena; Costa, Antoni; Deya, Pere M.; Gomila, Rosa; Decken, Andreas; Deslongchamps, Ghislain. Journal of Organic Chemistry(2002),67(25),8832-8841.

Anion-p Interactions: Do They Exist? Quinonero, David; Garau, Carolina; Rotger, Carmen; Frontera, Antonio; Ballester, Pablo; Costa, Antonio; Deya, Pere M.. Angewandte Chemie, International Edition(2002),41(18),3389-3392.

Internal Rotation in Squaramide and Related Compounds. A Theoretical ab Initio Study. Deya, Pere M.; Frontera, Antonio; Suner, Guillem A.; Quinonero, David; Garau, Carolina; Costa, Antoni; Ballester, Pau. Theoretical Chemistry Accounts(2002),108(3),157-167.

Predicting Experimental Complexation-Induced Changes in 1H NMR Chemical Shift for Complexes Between Metalloporphyrins and Ligands Using the ab Initio/GIAO-HF Methodology. Gomila, Rosa M.; Quinonero, David; Garau, Carolina; Frontera, Antonio; Ballester, Pau; Costa, Antonio; Deya, Pere M.. Chemical Physics Letters(2002),360(1,2),72-78.

Counterintuitive Interaction of Anions with Benzene Derivatives. Quinonero, David; Garau, Carolina; Frontera, Antonio; Ballester, Pau; Costa, Antonio; Deya, Pere M.. Chemical Physics Letters(2002),359(5,6),486-492.

Quantification of Aromaticity in Oxocarbons: the Problem of the Fictitious "Nonaromatic" Reference System. Quinonero, David; Garau, Carolina; Frontera, Antonio; Ballester, Pablo; Costa, Antonio; Deya, Pere M.. Chemistry--A European Journal(2002),8(2),433-438.

Predicting Experimental Complexation-Induced Changes in 1H NMR Chemical Shift for Complexes between Zinc-Porphyrins and Amines Using the ab Initio/GIAO-HF Methodology. Gomila, Rosa M.; Quinonero, David; Rotger, Carmen; Garau, Carolina; Frontera, Antonio; Ballester, Pablo; Costa, Antonio; Deya, Pere M.. Organic Letters(2002),4(3),399-401.

A theoretical study of aromaticity in squaramide complexes with anions. Quinonero, David; Prohens, Rafel; Garau, Carolina; Frontera, Antonio; Ballester, Pau; Costa, Antonio; Deya, Pere M.. Chemical Physics Letters(2002),351(1,2),115-120.

 

OPLS All-Atom Force Field for Squaramides and Squaric Acid. Quinonero, David; Tomas, Salvador; Frontera, Antonio; Garau, Carolina; Ballester, Pablo; Costa, Antonio; Deya, Pere M.. Chemical Physics Letters(2001),350(3,4),331-338.

Thermodynamic Characterization of the Squaramide-Carboxylate Interaction in Squaramide Receptors. Prohens, R.; Rotger, M. C.; Pina, M. N.; Deya, P. M.; Morey, J.; Ballester, P.; Costa, A. Tetrahedron Letters(2001),42(29),4933-4936.

A Topological Analysis of Charge Density in Complexes Between Derivatives of Squaric Acid and Ammonium Cation. Quinonero, D.; Frontera, A.; Ballester, P.; Garau, C.; Costa, A.; Deya, P. M.. Chemical Physics Letters(2001),339(5,6),369-374.

The Resonance Model in Amides: a Combined Crystallographic and ab Initio Investigation. Quinonero, David; Frontera, Antonio; Capo, Magdalena; Ballester, Pau; Suner, Guillem A.; Garau, Carolina; Deya, Pere M.. New Journal of Chemistry(2001),25(2),259-261.

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. Ballester, Pablo; Capo, Magdalena; Costa, Antoni; Deya, Pere M.; Gomila, Rosa; Decken, Andreas; Deslongchamps, Ghislain. Organic Letters(2001),3(2),267-270.

 

Ab Initio Calculations on Zinc Porphyrins Complexed to Amines: Geometrical Details and NMR Chemical Shifts. Gomila, R. M.; Quinonero, D.; Frontera, A.; Ballester, P.; Deya, P. M.. THEOCHEM(2000),531381-386.

Squaramide as a Binding Unit in Molecular Recognition. Quinonero, D.; Frontera, A.; Suner, G. A.; Morey, J.; Costa, A.; Ballester, P.; Deya, P. M.. Chemical Physics Letters(2000),326(3,4),247-254.

Squaramido-Based Receptors: Applicability of Molecular Interaction Potential to Molecular Recognition of Polyalkylammonium Compounds. Quinonero, David; Frontera, Antonio; Tomas, Salvador; Suner, Guillem A.; Morey, Jeroni; Costa, Antoni; Ballester, Pau; Deya, Pere M.. Theoretical Chemistry Accounts(2000),104(1),50-66.

Binding of Caffeine by a Synthetic Co-Receptor. Ballester, Pablo; Barcelo, Miquel Angel; Costa, Antoni; Deya, Pere M.; Morey, Jeroni; Orell, Maria; Hunter, Christopher A. Tetrahedron Letters(2000),41(20),3849-3853.

A Theoretical Study of Aromaticity in Squaramide and Oxocarbons. Quinonero, David; Frontera, Antonio; Ballester, Pau; Deya, Pere M.. Tetrahedron Letters(2000),41(12),2001-2005.