Dr Antonio Frontera
Universitat de les Illes Balears
Professor, Chemistry
Spain
My co-authors include
Sally Brooker
Professor Ray J Butcher
Rosa Carballo
My Publications
Halogen interactions in dinuclear copper(II) 2,4-dibromophenoxyacetate – crystal struct...
Journal of Molecular Structure
February 2020
Synthesis, X-ray Characterization and Density Functional Theory (DFT) Studies of Two Po...
Molecules
January 2020
Front Cover: Through-Space “α-Effect” between the Bridging Oxygen Atoms in Diepoxybenzo...
European Journal of Organic Chemistry
January 2020
Energetically significant unconventional O H⋯π contacts involving discrete guest (H2O)8...
Polyhedron
January 2020
Metal–organic architectures driven by a multifunctional 6-aminouracil spacer: structure...
CrystEngComm
January 2020
Self-assembly of amphiphilic aryl-squaramides in water driven by dipolar π–π interactions
Organic & Biomolecular Chemistry
January 2020
Influence of 2-Amino-4-methylpyridine and 2-Aminopyrimidine Ligands on the Malonic Acid...
ACS Omega
December 2019
Halogen and Chalcogen Bond Energies Evaluated Using Electron Density Properties
ChemPhysChem
December 2019
Halogen and Chalcogen Bond Energies Evaluated Using Electron Density Properties
ChemPhysChem
December 2019
Through-Space “α-Effect” between the Bridging Oxygen Atoms in Diepoxybenzo[de]isothioch...
European Journal of Organic Chemistry
October 2019
A combined experimental and computational study of a supramolecular assembly based on c...
Journal of Molecular Structure
October 2019
Supramolecular assembly of a 2D coordination polymer bearing pyridine-N-oxide-2,5-dicar...
Journal of Molecular Structure
October 2019
Importance of π-Interactions Involving Chelate Rings in Addition to the Tetrel Bonds in...
Crystal Growth & Design
September 2019
Surface Modification of Pseudoboehmite-Coated Aluminum Plates with Squaramic Acid Amphi...
ACS Omega
September 2019
Two Geometrical Isomers of a 1D Coordination Polymer: Rationalization by Theoretical Ca...
Crystal Growth & Design
August 2019
Anion–π Interactions in Light‐Induced Reactions: Role in the Amidation of (Hetero)aroma...
Chemistry - A European Journal
August 2019
Indirect influence of alkyl substituent on sigma-hole interactions: The case study of a...
Polyhedron
August 2019
Nitropyridine-1-Oxides as Excellent π-Hole Donors: Interplay between σ-Hole (Halogen, H...
International Journal of Molecular Sciences
July 2019
A combined experimental and theoretical analysis of the solid-state supramolecular self...
Journal of Molecular Structure
July 2019
5,5'-Dibenzoimidazole as Building Block for a New 3D Co(II) Coordination Polymer: A Com...
Polyhedron
July 2019
Supramolecular Assemblies in Pb(II) Complexes with Hydrazido-Based Ligands
Crystals
June 2019
Cu(II) and Co(II) coordination solids involving unconventional parallel nitrile(π)‒nitr...
Journal of Molecular Structure
June 2019
A Series of Lanthanide-Based Metal–Organic Frameworks Derived from Furan-2,5-dicarboxyl...
Inorganic Chemistry
May 2019
Gallic Acid Dimer As a Double π–Hole Donor: Evidence from X-ray, Theoretical Calculatio...
Crystal Growth & Design
May 2019
Synchronized On/Off Switching of Four Binding Sites for Water in a Molecular Solomon Link
Angewandte Chemie
May 2019
Synchronized On/Off Switching of Four Binding Sites for Water in a Molecular Solomon Link
Angewandte Chemie International Edition in English
May 2019
Energetically favorable anti-electrostatic hydrogen bonded cationic clusters in Ni(II) ...
Polyhedron
May 2019
Adenine as a Halogen Bond Acceptor: A Combined Experimental and DFT Study
Crystals
April 2019
Structures, Photoresponse Properties, and Biological Activity of Dicyano-Substituted 4-...
ACS Omega
April 2019
Theoretical ab Initio Study on Cooperativity Effects between Nitro π‐hole and Halogen B...
ChemPhysChem
April 2019
Theoretical and Crystallographic Study of Lead(IV) Tetrel Bonding Interactions
Chemistry - A European Journal
April 2019
An inorganic–organic hybrid supramolecular framework based on the γ-[Mo8O26]4− cluster ...
Acta Crystallographica Section C Structural Chemistry
March 2019
Synthesis, X‐ray characterization and density functional theory studies of N ...
Applied Organometallic Chemistry
March 2019
A novel oxalato bridged supramolecular ternary complex of Cu(II) involving energeticall...
Inorganica Chimica Acta
March 2019
Hydrogen Bond versus Halogen Bond in HXOn (X = F, Cl, Br, and I) Complexes with Lewis B...
Inorganics
January 2019
Synthesis, structure, physicochemical characterization and theoretical evaluation of no...
Inorganica Chimica Acta
January 2019
Modulation of coordination in pincer-type isonicotinohydrazone Schiff base ligands by p...
CrystEngComm
January 2019
H-Bonded anion–anion complexes in fentanyl citrate polymorphs and solvates
Chemical Communications
January 2019
2,5-Furandicarboxylic acid as a linker for lanthanide coordination polymers: the role o...
New Journal of Chemistry
January 2019
Analysis of energies of halogen and hydrogen bonding interactions in the solid state st...
RSC Advances
January 2019
Halogen bonding effects on the outcome of reactions at metal centres
Chemical Communications
January 2019
Diverse structural assemblies of U-shaped hydrazinyl-sulfonamides: experimental and the...
CrystEngComm
January 2019
On the preferences of five-membered chelate rings in coordination chemistry: insights f...
Dalton Transactions
January 2019
Structures, photoresponse properties and DNA binding abilities of 4-(4-pyridinyl)-2-pyr...
RSC Advances
January 2019
On the importance of antiparallel π–π interactions in the solid state of isatin-based h...
New Journal of Chemistry
January 2019
Unexpected chalcogen bonds in tetravalent sulfur compounds
Physical Chemistry Chemical Physics
January 2019
Solvent-driven structural topology involving energetically significant intra- and inter...
RSC Advances
January 2019
Crystal structures of N6-modified-amino acid related nucleobase analogs (II): hybrid ad...
New Journal of Chemistry
January 2019
Formation of an imidazoliumyl-substituted [(LC)4P4]4+ tetracation and transition metal ...
Chemical Science
January 2019
“Like–like” tetrel bonding interactions between Sn centres: a combinedab initioand CSD ...
Dalton Transactions
January 2019
Methylene spacer regulated variation in molecular and crystalline architectures of coba...
Dalton Transactions
January 2019
Exploiting 1,4-naphthoquinone and 3-iodo-1,4-naphthoquinone motifs as anion binding sit...
Dalton Transactions
January 2019
Effects of N-oxidation on the molecular and crystal structures and properties of isocin...
RSC Advances
January 2019
Influence of the aromatic surface on the capacity of adsorption of VOCs by magnetite su...
RSC Advances
January 2019
Intramolecular π–hole interactions with nitro aromatics
CrystEngComm
January 2019
Magnetic, luminescence, topological and theoretical studies of structurally diverse sup...
New Journal of Chemistry
January 2019
closo-Carboranes as dual CH⋯π and BH⋯π donors: theoretical study and biological signifi...
Physical Chemistry Chemical Physics
January 2019
Solid-state supramolecular architectures of a series of Hg(ii) halide coordination comp...
CrystEngComm
January 2019
Chloranilate bridged dinuclear copper(ii) complexes: syn–anti geometry tuned by the ste...
CrystEngComm
January 2019
Controlled scrambling reactions to polyphosphanes via bond metathesis reactions
Chemical Science
January 2019
Formation of a tetranuclear supramolecule via non-covalent Pb⋯Cl tetrel bonding interac...
CrystEngComm
January 2019
Photosensitive Schottky barrier diode behavior of a semiconducting Co(iii)–Na complex w...
RSC Advances
January 2019
Stabilization of two conformers via intra- or inter-molecular hydrogen bonds in a dinuc...
RSC Advances
January 2019
Diethylaminophenyl-based Schiff base Cu(ii) and V(iv) complexes: experimental and theor...
New Journal of Chemistry
January 2019
Tetranuclear MnII /ZnII and Novel Azido-Bridged Chair-Shaped Heptanuclear CdII Compou...
European Journal of Inorganic Chemistry
December 2018
Primary Anion−π Catalysis and Autocatalysis
Journal of the American Chemical Society
December 2018
Werner Type Clathrates Involving Guest Benzoic Acid and Benzoate in Discrete Mn(II) Hos...
Polyhedron
December 2018
Bioactive Heterometallic CuII–ZnII Complexes with Potential Biomedical Applications
ACS Omega
October 2018
Multicomponent Supramolecular Assemblies of Melamine and α-Hydroxycarboxylic Acids: Und...
Crystal Growth & Design
October 2018
Synthesis, structures, and investigation of noncovalent interactions of 1,3-dimethyl-5-...
Journal of Molecular Structure
October 2018
Synthesis, characterization and DFT study on two copper(II) complexes with a naphthalen...
Polyhedron
October 2018
A Strategy to Synthesize Molecular Knots and Links Using the Hydrophobic Effect
Journal of the American Chemical Society
September 2018
Frontispiece: Adsorption and Quantification of Volatile Organic Compounds (VOCs) by usi...
Chemistry - A European Journal
September 2018
Intramolecular Noncovalent Carbon Bonding Interaction Stabilizes the cis Conformation ...
ChemPlusChem
September 2018
Adsorption and Quantification of Volatile Organic Compounds (VOCs) by using Hybrid Magn...
Chemistry - A European Journal
August 2018
Enhanced Photosensitive Schottky Diode Behavior of Pyrazine over 2-Aminopyrimidine Liga...
ACS Omega
August 2018
Tetrel Bonding Interactions in Perchlorinated Cyclopenta- and Cyclohexatetrelanes: A Co...
Molecules
July 2018
Regium-π vs Cation-π Interactions in M2 and MCl (M = Cu, Ag and Au) Complexes with Smal...
Inorganics
June 2018
Cu(II)–N6-Alkyladenine Complexes: Synthesis, X-ray Characterization and Magnetic Proper...
Magnetochemistry
May 2018
Synergistic Anion–(π)n–π Catalysis on π-Stacked Foldamers
Journal of the American Chemical Society
April 2018
Two Zinc(II)-Based Metal Complexes of New Pyrimidine Derived Ligand: Anion-Dependent St...
The Journal of Physical Chemistry C
March 2018
Chalcogen ‘like-like’ Interactions Involving Trisulphide and Triselenide Compounds: A C...
Molecules
March 2018
Anion−π Interactions in Hollow Crystals of a Copper(II)-Cyamelurate Coordination Complex
Crystal Growth & Design
March 2018
Coordination Polymers Based on Phthalic Acid and Aminopyrazine Ligands: On the Importan...
Polymers
February 2018
Synthesis, Substitution, and Oxidation of Imidazole-2-thione Based Tricyclic 1,4-Dihydr...
European Journal of Inorganic Chemistry
February 2018
Valence-Tautomerism-Driven Aromatic Nucleophilic Substitution in Cobalt-Bound Tetrabrom...
European Journal of Inorganic Chemistry
February 2018
Heteronuclear cobalt(iii)/sodium complexes with salen type compartmental Schiff base li...
Dalton Transactions
January 2018
Non-covalent tetrel bonding interactions in hemidirectional lead(ii) complexes with nic...
New Journal of Chemistry
January 2018
Methylene spacer regulated variation in conformation of tetradentate N2O2 donor Schiff ...
CrystEngComm
January 2018
Formation of a water-mediated assembly of two neutral copper(ii) Schiff base fragments ...
CrystEngComm
January 2018
A family of [Cu2], [Cu4] and [Cu5] aggregates: alteration of reaction conditions, ancil...
New Journal of Chemistry
January 2018
A series of 3D lanthanide coordination polymers decorated with a rigid 3,5-pyridinedica...
Dalton Transactions
January 2018
Bipolar behaviour of salt-bridges: a combined theoretical and crystallographic study
New Journal of Chemistry
January 2018
Boron triel bonding: a weak electrostatic interaction lacking electron-density descriptors
Physical Chemistry Chemical Physics
January 2018
Crystal structures of N6-modified-aminoacid/peptide nucleobase analogs: hybrid adenine–...
New Journal of Chemistry
January 2018
Experimental and computational investigations of the photosensitive Schottky barrier di...
New Journal of Chemistry
January 2018
H-Bonded anion–anion complex trapped in a squaramido-based receptor
Chemical Communications
January 2018
Hydrogen bonding versus π-interactions: their key competition in sildenafil solvates
CrystEngComm
January 2018
Joining of trinuclear (CuL)2M (M = MnII and CdII) nodes by 1,3- and 1,4-benzenedicarbox...
CrystEngComm
January 2018
Lone pair–π vs. σ-hole–π interactions in bromine head-containing oxacalix[2]arene[2]tri...
CrystEngComm
January 2018
Ni-Catalysed Intramolecular [4+4]-cycloadditions of bis-dienes towards eight-membered f...
Catalysis Science & Technology
January 2018
On the importance of Pb⋯X (X = O, N, S, Br) tetrel bonding interactions in a series of ...
CrystEngComm
January 2018
One pot synthesis of two cobalt(iii) Schiff base complexes with chelating pyridyltetraz...
RSC Advances
January 2018
Pb⋯X (X = N, S, I) tetrel bonding interactions in Pb(ii) complexes: X-ray characterizat...
CrystEngComm
January 2018
Polymorphism in secondary squaramides: on the importance of π-interactions involving th...
CrystEngComm
January 2018
Quantifying conventional C–H⋯π(aryl) and unconventional C–H⋯π(chelate) interactions in ...
New Journal of Chemistry
January 2018
Recurrent supramolecular motifs in discrete complexes and coordination polymers based o...
CrystEngComm
January 2018
Screening polymorphism in a Ni(ii) metal–organic framework: experimental observations, ...
CrystEngComm
January 2018
Structure guided or structure guiding? Mixed carbon/hydrogen bonding in a bis-Schiff ba...
CrystEngComm
January 2018
Zinc(ii) complexes with uncommon aminal and hemiaminal ether derivatives: synthesis, st...
New Journal of Chemistry
January 2018
Effect of temperature and ligand protonation on the electronic ground state in Cu(ii) p...
Dalton Transactions
January 2018
A versatile chemosensor for the detection of Al3+ and picric acid (PA) in aqueous solution
Dalton Transactions
January 2018
σ-Hole halogen bonding interactions in a mixed valence cobalt(iii/ii) complex and anti-...
CrystEngComm
January 2018
A versatile quinoxaline derivative serves as a colorimetric sensor for strongly acidic pH
Dalton Transactions
January 2018
Benzyl Dihydrazone versus Thiosemicarbazone Schiff Base: Effects on the Supramolecular ...
European Journal of Inorganic Chemistry
October 2017
Anion−π Catalysis on Fullerenes
Journal of the American Chemical Society
September 2017
Back Cover: On the Importance of Nonbonding Donor-Acceptor Interactions Involving PO2 ...
ChemPhysChem
August 2017
Importance of R–CF3···O Tetrel Bonding Interactions in Biological Systems
The Journal of Physical Chemistry A
July 2017
Synthesis and supramolecular self-assembly of thioxothiazolidinone derivatives driven b...
Journal of Molecular Structure
July 2017
Molecular electrostatic potential and “atoms-in-molecules” analyses of the interplay be...
Journal of Computational Chemistry
June 2017
On the Importance of Nonbonding Donor-Acceptor Interactions Involving PO2 ...
ChemPhysChem
June 2017
On the Importance of Halogen–Halogen Interactions in the Solid State of Fullerene Halid...
Crystals
June 2017
The Mouse in a Trap: Observation of a C(sp3)–F···F–C(sp3) Interaction in a Discrete CFC...
Crystal Growth & Design
June 2017
Isolation of Azadiphosphiridines and Diphosphenimines by Cycloaddition of Azides and a ...
Angewandte Chemie
May 2017
Isolation of Azadiphosphiridines and Diphosphenimines by Cycloaddition of Azides and a ...
Angewandte Chemie International Edition in English
May 2017
On the Importance of π-Hole Beryllium Bonds: Theoretical Study and Biological Implications
Chemistry - A European Journal
March 2017
NO3− anions can act as Lewis acid in the solid state
Nature Communications
February 2017
X-ray Crystal Structure of a Metalled Double-Helix Generated by Infinite and Consecutiv...
Chemistry - A European Journal
January 2017
Hydrogen- and halogen-bond cooperativity in determining the crystal packing of dihaloge...
CrystEngComm
January 2017
Molecular and crystalline architectures based on HgI2: from metallamacrocycles to coord...
CrystEngComm
January 2017
Both end-on and end-to-end azide bridged tetranuclear ferromagnetic nickel(ii) Schiff b...
New Journal of Chemistry
January 2017
A Cd(ii)-based MOF as a photosensitive Schottky diode: experimental and theoretical stu...
Dalton Transactions
January 2017
A Ni-based MOF for selective detection and removal of Hg2+ in aqueous medium: a facile ...
Dalton Transactions
January 2017
A Schiff base platform: structures, sensing of Zn(ii) and PPi in aqueous medium and ant...
Dalton Transactions
January 2017
A combined crystallographic and theoretical study of weak intermolecular interactions i...
CrystEngComm
January 2017
A highly selective “ON–OFF” probe for colorimetric and fluorometric sensing of Cu2+in w...
RSC Advances
January 2017
A survey of the different roles of polyoxometalates in their interaction with amino aci...
Dalton Transactions
January 2017
A trigonal prismatic anionic iron(iii) complex of a radical o-iminobenzosemiquinonate d...
New Journal of Chemistry
January 2017
Ambiguous reactivity of Li/Cl phosphinidenoid complexes under redox conditions – a nove...
Chemical Communications
January 2017
Carbodiphosphorane mediated synthesis of a triflyloxyphosphonium dication and its react...
Chemical Communications
January 2017
Chelate ring stacking interactions in the supramolecular assemblies of Zn(ii)and Cd(ii)...
CrystEngComm
January 2017
Concurrent aerogen bonding and lone pair/anion–π interactions in the stability of organ...
Physical Chemistry Chemical Physics
January 2017
Cooperative influence of pseudohalides and ligand backbone of Schiff-bases on nuclearit...
Dalton Transactions
January 2017
Donor–acceptor interactions in tri(phosphonio)methanide dications [(Ph3P)2CP(X)Ph2]2+(X...
Dalton Transactions
January 2017
Estimation of conventional C–H⋯π (arene), unconventional C–H⋯π (chelate) and C–H⋯π (thi...
Dalton Transactions
January 2017
Importance of C–H⋯π interactions in stabilizing the syn/anti arrangement of pendant alk...
New Journal of Chemistry
January 2017
Mononuclear and dinuclear trimethylplatinum(iv) iodide complexes of 3-substituted pyrid...
New Journal of Chemistry
January 2017
Nuclearity versus oxidation state in the catalytic efficiency of MnII/III azo Schiff ba...
New Journal of Chemistry
January 2017
Solid-state inclusion of C60 and C70 in a co-polymer induced by metal–ligand coordinati...
CrystEngComm
January 2017
Supramolecular nanotubes based on halogen bonding interactions: cooperativity and inter...
Physical Chemistry Chemical Physics
January 2017
The development of a promising photosensitive Schottky barrier diode using a novel Cd(i...
Dalton Transactions
January 2017
The first X-ray structure of a silver–nucleotide complex: interaction of ion Ag(i) with...
CrystEngComm
January 2017
Unraveling the dual character of sulfur atoms in a series of Hg(ii) coordination polyme...
CrystEngComm
January 2017
Unveiling the effects of the in situ generated arene anion radical and imine radical on...
Dalton Transactions
January 2017
π–hole interactions at work: crystal engineering with nitro-derivatives
CrystEngComm
January 2017
Charge-assisted triel bonding interactions in solid state chemistry: A combined computa...
Chemical Physics Letters
December 2016
Cover Picture: On the Versatility of BH2 X (X=F, Cl, Br, and I) Compounds as Halogen-, ...
ChemPhysChem
October 2016
On the Versatility of BH2 X (X=F, Cl, Br, and I) Compounds as Halogen-, Hydrogen-, and ...
ChemPhysChem
October 2016
On the Versatility of BH2 X (X=F, Cl, Br, and I) Compounds as Halogen-, Hydrogen-, and ...
ChemPhysChem
August 2016
Synthesis, X-ray characterization and DFT study of a novel Fe(III)–pyridine-2,6-dicarbo...
Inorganica Chimica Acta
August 2016
A combined experimental and theoretical study on supramolecular assemblies in octahedra...
Polyhedron
July 2016
Anion dependent supramolecular architectures in Cu(II) complexes containing N2O-donor S...
Inorganica Chimica Acta
July 2016
σ-Hole Opposite to a Lone Pair: Unconventional Pnicogen Bonding Interactions between ZF...
ChemPhysChem
March 2016
RCH3···O Interactions in Biological Systems: Are They Trifurcated H-Bonds or Noncovalen...
Crystals
March 2016
Importance of chelate–chelate stacking interactions in crystal structures of square pyr...
Inorganica Chimica Acta
March 2016
Tetranuclear manganese(II) complexes of hydrazone and carbohydrazone ligands: Synthesis...
Inorganica Chimica Acta
March 2016
A thorough anion–π interaction study in biomolecules: on the importance of cooperativit...
Chemical Science
January 2016
Towards design strategies for anion–π interactions in crystal engineering
CrystEngComm
January 2016
Synthesis, X-ray characterization, DFT calculations and Hirshfeld surface analysis stud...
CrystEngComm
January 2016
1,1,2,2-Tetracyanocyclopropane (TCCP) as supramolecular synthon
Physical Chemistry Chemical Physics
January 2016
A novel method for copper(ii) mediated region-selective bromination of aromatic rings u...
RSC Advances
January 2016
A combined experimental and computational study on supramolecular assemblies in hetero-...
Dalton Transactions
January 2016
A rare doubly nitrato and phenoxido bridged trimetallic CuII complex: EPR, antiferromag...
RSC Advances
January 2016
Correction: A crystalline sponge based on dispersive forces suitable for X-ray structur...
Chemical Science
January 2016
Catecholase activity, DNA binding and cytotoxicity studies of a Cu(ii) complex of a pyr...
RSC Advances
January 2016
Cationic 5-phosphonio-substituted N-heterocyclic carbenes
Dalton Transactions
January 2016
Concurrent agostic and tetrel bonding interactions in lead(ii) complexes with an isonic...
Dalton Transactions
January 2016
Electrostatically enhanced F⋯F interactions through hydrogen bonding, halogen bonding a...
Physical Chemistry Chemical Physics
January 2016
Exploration of unconventional π–hole and C–H⋯H–C types of supramolecular interactions i...
RSC Advances
January 2016
Exploring the coordinative adaptation and molecular shapes of trinuclear CuII2MII (M = ...
Dalton Transactions
January 2016
Inorganic–organic hybrid materials based on PbBr2 and pyridine–hydrazone blocks – struc...
RSC Advances
January 2016
Metal–organic and supramolecular lead(ii) networks assembled from isomeric nicotinoylhy...
CrystEngComm
January 2016
On the importance of tetrel bonding interactions in lead(ii) complexes with (iso)nicoti...
Dalton Transactions
January 2016
Self-assembly synthesis, structure, topology, and magnetic properties of a mononuclear ...
Dalton Transactions
January 2016
Structural diversity and non-covalent interactions in Cd(II) and Zn(II) complexes deriv...
Inorganica Chimica Acta
January 2016
Synthesis, X-ray characterization, DFT calculations and Hirshfeld surface analysis of t...
CrystEngComm
January 2016
Theoretical study on σ- and π-hole carbon⋯carbon bonding interactions: implications in ...
Physical Chemistry Chemical Physics
January 2016
Solvent-controlled construction of manganese(II) complexes with 4-acetylpyridine nicoti...
Inorganica Chimica Acta
November 2015
Unveiling NO2π···CC π–hole interactions: A combined computational and crystallographic ...
Chemical Physics Letters
July 2015
A new solvated complex of the uranyl ion (UO22+) with 8-hydroxyquinoline
Inorganica Chimica Acta
February 2015
Directionality of π-holes in nitro compounds
Chemical Communications
January 2015
Cadmium(ii) complexes containing N,N′-dimethylviolurate as ligand or counteranion: synt...
RSC Advances
January 2015
Unprecedented structural variations in trinuclear mixed valence Co(ii/iii) complexes: t...
Dalton Transactions
January 2015
Surprising behaviour of M–CO(lone pair)⋯π(arene) interactions in the solid state of flu...
CrystEngComm
January 2015
Two types of nitrito support for μ4-oxido-bridged [Cu4] complexes: synthesis, crystal s...
Dalton Transactions
January 2015
From monomers to polymers: steric and supramolecular effects on dimensionality of coord...
CrystEngComm
January 2015
Hydrothermal synthesis, X-ray structure and DFT and magnetic studies of a (H2SiW12O40)2...
Dalton Transactions
January 2015
π-hole interaction involving nitro groups
CrystEngComm
January 2015
The N-atom in [N(PR3)2]+ cations (R = Ph, Me) can act as electron donor for (pseudo) an...
CrystEngComm
January 2015
Synthesis, crystal structures, magnetic properties and DFT calculations of nitrate and ...
RSC Advances
January 2015
Syntheses, crystal structures and density functional theory investigations of copper(ii...
CrystEngComm
January 2015
Exploration of CH⋯π interactions involving the π-system of pseudohalide coligands in me...
CrystEngComm
January 2015
Application of a novel 2D cadmium(ii)-MOF in the formation of a photo-switch with a sub...
Chemical Communications
January 2015
Synthesis, X-ray characterization and DFT studies of N-benzimidazolyl-pyrimidine–M(ii) ...
CrystEngComm
January 2015
A crystalline sponge based on dispersive forces suitable for X-ray structure determinat...
Chemical Science
January 2015
Observation of novel oxygen⋯oxygen interaction in supramolecular assembly of cobalt(iii...
RSC Advances
January 2015
π-Hole aerogen bonding interactions
Physical Chemistry Chemical Physics
January 2015
On the nature of M–CO(lone pair)⋯π(arene) interactions in the solid state of fluorinate...
CrystEngComm
January 2015
Influence of para substituents in controlling photophysical behavior and different non-...
Dalton Transactions
January 2015
A combined experimental and theoretical study of the supramolecular self-assembly of Cu...
Journal of Solid State Chemistry
December 2014
A new oxo centered basic p-chlorobenzoate bridging heterotrinuclear complex, [Cr2MnO(C7...
Polyhedron
October 2014
Non-covalent sp3carbon bonding with ArCF3is analogous to CH–π interactions
Chemical Communications
September 2014
Structural basis for molecular recognition, theoretical studies and anti-bacterial prop...
Tetrahedron
September 2014
Role of ligand backbone of tridentate Schiff-base on complex nuclearity and bio-relevan...
Inorganica Chimica Acta
September 2014
Recent developments in the crystal engineering of diverse coordination modes (0–12) for...
Coordination Chemistry Reviews
September 2014
Relation between the Catalytic Efficiency of the Synthetic Analogues of Catechol Oxidas...
Inorganic Chemistry
August 2014
Combined Experimental and Theoretical Investigation of Ligand and Anion Controlled Comp...
Crystal Growth & Design
August 2014
Small Cycloalkane (CN)2CC(CN)2Structures Are Highly Directional Non-covalent Carbon-Bo...
Chemistry - A European Journal
July 2014
Synthesis, Structure, and Binding Properties of Lipophilic Cavitands Based on a Calix[4...
The Journal of Organic Chemistry
June 2014
Copper-Assisted Hemiacetal Synthesis: A CuIIChain Obtained by a One-Step in situ Reacti...
European Journal of Inorganic Chemistry
June 2014
Computational study of anion recognition based on tetrel and hydrogen bonding interacti...
Computational and Theoretical Chemistry
June 2014
Synthesis, structural characterization, theoretical calculations and catecholase mimeti...
Polyhedron
June 2014
Experimental and Theoretical Study of Aromaticity Effects in the Solid State Architectu...
Crystal Growth & Design
May 2014
A Combined Theoretical and Cambridge Structural Database Study of π-Hole Pnicogen Bond...
The Journal of Physical Chemistry A
April 2014
Long-Range Effects in Anion-π Interactions: Their Crucial Role in the Inhibition Mechan...
Chemistry - A European Journal
April 2014
Electronic Structure of N2P2Four-Membered Rings
ChemPhysChem
March 2014
On the relationship between ring strain energies and ‘atoms-in-molecules’ properties in...
Chemical Physics Letters
March 2014
Analyses of supramolecular interactions present in a coordination polymer of Mn(II) wit...
Inorganic Chemistry Communications
March 2014
Molecular Recognition of Nucleotides in Water by Scorpiand-Type Receptors Based on Nucl...
Chemistry - A European Journal
February 2014
Thermodynamic Characterization of Halide−π Interactions in Solution Using “Two-Wall” Ar...
Journal of the American Chemical Society
February 2014
pH Dependent Formation of Unprecedented Water–Bromide Cluster in the Bromide Salts of P...
Crystal Growth & Design
January 2014
Syntheses, structures, properties and DFT study of hybrid inorganic–organic architectur...
Dalton Transactions
January 2014
Substituent effects in cation–π interactions revisited: a general approach based on int...
Physical Chemistry Chemical Physics
January 2014
A dodecanuclear copper(ii) cage self-assembled from six dicopper building units
Dalton Transactions
January 2014
Relevant and unprecedented C–H/σ supramolecular interactions involving σ-aromatic M2X2 ...
Dalton Transactions
January 2014
Crystal structures and DFT calculations of new chlorido-dimethylsulfoxide-MIII (M = Ir,...
Dalton Transactions
January 2014
Triple-bridged ferromagnetic nickel(ii) complexes: A combined experimental and theoreti...
Dalton Transactions
January 2014
The influence of H-bonding on the ‘ambidentate’ coordination behaviour of the thiocyana...
Dalton Transactions
January 2014
An unusual nitroso⋯nitroso interaction in the coordination polymer structures of Ni(ii)...
CrystEngComm
January 2014
Crystal engineering with coordination compounds of 2,6-dicarboxy-4-hydroxypyridine and ...
CrystEngComm
January 2014
Crystal engineering with coordination compounds of NiII, CoII, and CrIII bearing dipico...
CrystEngComm
January 2014
On the importance of non covalent interactions in the structure of coordination Cu(ii) ...
CrystEngComm
January 2014
Influence of ring size on the strength of carbon bonding complexes between anions and p...
Physical Chemistry Chemical Physics
January 2014
Synthesis, X-ray characterization and DFT studies of bis-N-imidazolylpyrimidine salts: ...
CrystEngComm
January 2014
A combined experimental and computational study of supramolecular assemblies in ternary...
RSC Advances
January 2014
A Combined Experimental and Theoretical Investigation on the Role of Halide Ligands on ...
Inorganic Chemistry
December 2013
On the Reliability of Pure and Hybrid DFT Methods for the Evaluation of Halogen, Chalco...
Journal of Chemical Theory and Computation
November 2013
Cover Picture: On the Importance of Anion-π Interactions in the Mechanism of Sulfide:Qu...
Chemistry - An Asian Journal
October 2013
Tetrel-Bonding Interaction: Rediscovered Supramolecular Force?
Angewandte Chemie
October 2013
Tetrel-Bonding Interaction: Rediscovered Supramolecular Force?
Angewandte Chemie International Edition in English
October 2013
Structural characterization, recognition patterns and theoretical calculations of long-...
Coordination Chemistry Reviews
October 2013
Experimental and theoretical study of N1-hexylcytosine and N1-hexylcytosinium nitrate: ...
Tetrahedron Letters
September 2013
On the Importance of Anion-π Interactions in the Mechanism of Sulfide:Quinone Oxidoredu...
Chemistry - An Asian Journal
July 2013
MII-Malonate Complexes (M = Mg, Cu, Ni and Co) Characterized by Layered Structures: Exp...
European Journal of Inorganic Chemistry
July 2013
On the Importance of Unprecedented Lone Pair–Salt Bridge Interactions in Cu(II)–Malonat...
The Journal of Physical Chemistry A
July 2013
Use of Metalloligands [CuL] (H 2 L = Salen Type Di-Schiff Bases) in the Formation of H...
Inorganic Chemistry
July 2013
Encapsulation of anions: Macrocyclic receptors based on metal coordination and anion–π ...
Coordination Chemistry Reviews
June 2013
Dinuclear and heptanuclear nickel(II) complexes: Anion coordination induced ligand arm ...
Polyhedron
April 2013
Quadrupole moment versus Molecular Electrostatic Potential: Strange behavior of ethynyl...
Chemical Physics Letters
April 2013
Is the Use of Diffuse Functions Essential for the Properly Description of Noncovalent I...
The Journal of Physical Chemistry A
March 2013
Polymorphism in hetero-metallic tri-nuclear CuII2CdII complexes of salicylaldimine liga...
Polyhedron
March 2013
Different Nature of the Interactions between Anions and HAT(CN) 6 : From Reversible An...
Journal of the American Chemical Society
February 2013
Metallomacrocycles as anion receptors: combining hydrogen bonding and ion pair based ho...
Chemical Communications
January 2013
Experimental and theoretical studies on the coordination chemistry of the N1-hexyl subs...
Dalton Transactions
January 2013
Self-assembly cavitand precisely recognizing hexafluorosilicate: a concerted action of ...
Chemical Communications
January 2013
Anion–π interactions in [S4N3]+ rings
New Journal of Chemistry
January 2013
Reversible switching of the electronic ground state in a pentacoordinated Cu(ii) complex
Chemical Communications
January 2013
Synthesis, crystal structure, magnetic property and DFT calculations of an unusual dinu...
Dalton Transactions
January 2013
Analysis of the contribution of the π-acidity of the s-tetrazine ring in the crystal pa...
CrystEngComm
January 2013
Halogen bonding versuschalcogen and pnicogen bonding: a combined Cambridge structural d...
CrystEngComm
January 2013
Salt-bridge–π (sb–π) interactions at work: associative interactions of sb–π, π–π and an...
CrystEngComm
January 2013
Influence of accompanying anions on supramolecular assembly and coordination geometry i...
CrystEngComm
January 2013
Differences in Nuclearity, Molecular Shapes, and Coordination Modes of Azide in the Co...
Inorganic Chemistry
November 2012
Anion-π Interactions Involving [MXn]m−Anions: A Comprehensive Theoretical Study
ChemPhysChem
October 2012
Feasibility of Single-Walled Carbon Nanotubes as Materials for CO 2 Adsorption: A DFT ...
The Journal of Physical Chemistry C
October 2012
Understanding the Forces That Govern Packing: A Density Functional Theory and Structura...
Inorganic Chemistry
October 2012
Theoretical ab initio study of lone pair and anion–π interactions in fluorinated tropol...
Computational and Theoretical Chemistry
October 2012
Interplay between ion–π and Ar/π Van der Waals interactions
Computational and Theoretical Chemistry
October 2012
Complexes of Zinc(II) withN-Imidazolyl- andN-Pyrazolylpyrimidine Donor Ligands: Synthes...
European Journal of Inorganic Chemistry
July 2012
A new benzimidazolium incorporated chemodosimeter affording dual chromogenic and fluore...
Journal of Inclusion Phenomena and Macrocyclic Chemistry
June 2012
Estimating ring strain energies in small carbocycles by means of the Bader’s theory of ...
Chemical Physics Letters
May 2012
Tuning of the anion–π interaction
Theoretical Chemistry Accounts
April 2012
Theoretical ab initio study of anion–π interactions in inorganic rings
Chemical Physics Letters
March 2012
Synthesis, X-ray characterization and computational Studies of N-imidazolyl and N-pyraz...
Tetrahedron
March 2012
Anion Induced Formation of Supramolecular Associations Involving Lone pair−π and Anion−...
Inorganic Chemistry
February 2012
Host–Guest Supramolecular Interactions in the Coordination Compounds of 4,4′-Azobis(py...
Inorganic Chemistry
February 2012
ChemInform Abstract: Putting Anion-π Interactions into Perspective
ChemInform
January 2012
Pnicogen–π complexes: theoretical study and biological implications
Physical Chemistry Chemical Physics
January 2012
Cis–trans isomerism in diphenoxido bridged dicopper complexes: role of crystallized wat...
Dalton Transactions
January 2012
Synthesis, X-ray characterization and computational studies of Cu(ii) complexes of N-py...
Dalton Transactions
January 2012
Experimental and theoretical study of thymine and cytosine derivatives: the crucial rol...
CrystEngComm
January 2012
Effect of a methyl group on the spontaneous resolution of a square-pyramidal coordinati...
CrystEngComm
January 2012
Anion-π Interactions in Molecular Recognition
November 2011
Theoretical ab initio study of substituted benzene trimer: Interplay between hydrogen b...
Computational and Theoretical Chemistry
November 2011
ChemInform Abstract: Cation-π and Anion-π Interactions
ChemInform
October 2011
Putting Anion-π Interactions Into Perspective
Angewandte Chemie International Edition in English
September 2011
RI-MP2 and MPWB1K Study of π–Anion−π′ Complexes: MPWB1K Performance and Some Additivity...
Journal of Chemical Theory and Computation
September 2011
Theoretical Study on Cooperativity Effects between Anion-π and Halogen-Bonding Interact...
ChemPhysChem
August 2011
Unexpected Nonadditivity Effects in Anion−π Complexes
The Journal of Physical Chemistry A
July 2011
Supramolecular Self-Assembly of M-IDA Complexes Involving Lone-Pair···π Interactions: ...
Crystal Growth & Design
July 2011
Anionπ Interactions in Flavoproteins
Chemistry - An Asian Journal
June 2011
A methodological analysis for the assessment of non-covalent π interactions
Chemical Physics Letters
May 2011
Synthesis and Crystal Structures of μ-Oxido- and μ-Hydroxido-Bridged Dinuclear Iron(III...
European Journal of Inorganic Chemistry
April 2011
Cation-π and anion-π interactions
Wiley Interdisciplinary Reviews Computational Molecular Science
April 2011
RNAs' uracil quartet model with a non-essential metal ion
Chemical Communications
January 2011
Self-assembly hexanuclear metallacontainer hosting halogenated guest species and sustai...
Chemical Communications
January 2011
Substituent effects in halogen bonding complexes between aromatic donors and acceptors:...
Physical Chemistry Chemical Physics
January 2011
Radical cation (C˙+–π) and radical anion (A˙−–π) interactions with aromatic rings: ener...
Physical Chemistry Chemical Physics
January 2011
On the directionality of anion–π interactions
Physical Chemistry Chemical Physics
January 2011
Kinetics and mechanism of the oxidation of hydroxylamine by a {Mn3O4}4+ core in aqueous...
Dalton Transactions
January 2011
A Highly Selective Fluorescence Turn-on Probe for Zn2+ Based on New Diaryloxadiazole Ch...
Chemistry Letters
January 2011
Design of a dual sensing highly selective cyanide chemodosimeter based on pyridinium ri...
New Journal of Chemistry
January 2011
Supramolecular assemblies involving anion–π and lone pair–π interactions: experimental ...
CrystEngComm
January 2011
Can lone pair-π and cation-π interactions coexist? A theoretical study
Open Chemistry
January 2011
Trinuclear and tetranuclear adduct formation between sodium perchlorate and copper(II) ...
Inorganica Chimica Acta
January 2011
The Role of the Ethynyl Substituent on the π-π Stacking Affinity of Benzene: A Theoreti...
ChemPhysChem
December 2010
Relevant Anion-π Interactions in Biological Systems: The Case of Urate Oxidase
Angewandte Chemie International Edition in English
December 2010
Relevant Anion-π Interactions in Biological Systems: The Case of Urate Oxidase
Angewandte Chemie
December 2010
New Chlorido(dimethyl sulfoxide)iridium(III) Complexes with N6-Substituted Adenines - K...
European Journal of Inorganic Chemistry
December 2010
New Chlorido(dimethyl sulfoxide)iridium(III) Complexes with N6-Substituted Adenines - K...
European Journal of Inorganic Chemistry
November 2010
Hydrogen-bond assisted stabilization of the less favored conformation of a tridentate S...
Inorganica Chimica Acta
November 2010
A Combined Experimental and Theoretical Study of Anion-π Interactions in N6- and N9-Dec...
European Journal of Organic Chemistry
September 2010
New 1,8-naphthyridine-based probes for the selective fluorescence signalling of toxic c...
Supramolecular Chemistry
September 2010
A Combined Experimental and Theoretical Study of Anion-π Interactions in N6- and N9-Dec...
European Journal of Organic Chemistry
July 2010
Supramolecular Assembly of Mg(II) Complexes Directed by Associative Lone Pair−π/π−π/π−A...
The Journal of Physical Chemistry
April 2010
Self-Assembled Molecular Complexes and Coordination Polymers of Cd II , Hexamine, and ...
Crystal Growth & Design
April 2010
Erroneous behaviour of the widely used MP2(full)/aug-cc-pVXZ (X=D,T) level of theory fo...
Chemical Physics Letters
April 2010
Substituent Effects in Ion−π Interactions: Fine-Tuning via the Ethynyl Group
The Journal of Physical Chemistry A
February 2010
Cooperativity effects between non-covalent interactions: Are they important for Z-DNA s...
Chemical Physics Letters
January 2010
A novel fluoride selective optical chemosensor based on internal charge transfer signaling
Tetrahedron Letters
January 2010
Experimental and theoretical study of uracil derivatives: the crucial role of weak fluo...
CrystEngComm
January 2010
Lone pair–π vs π–π interactions in 5-fluoro-1-hexyluracil and 1-hexyluracil: a combined...
CrystEngComm
January 2010
Cooperativity in multiple unusual weak bonds
Theoretical Chemistry Accounts
November 2009
Counterintuitive Substituent Effect of the Ethynyl Group in Ion−π Interactions
The Journal of Physical Chemistry A
September 2009
Very Long-Range Effects: Cooperativity between Anion-π and Hydrogen-Bonding Interactions
ChemPhysChem
September 2009
Interplay between cation–π and hydrogen bonding interactions: Are non-additivity effect...
Chemical Physics Letters
September 2009
Anion−π Interactions in Four-Membered Rings
Organic Letters
May 2009
2-Aminopyrimidine Derivatives Exhibiting Anion-π Interactions: A Combined Crystallograp...
Crystal Growth & Design
May 2009
Anion-π, Lone-Pair-π, π-π and Hydrogen-Bonding Interactions in a CuIIComplex of 2-Picol...
European Journal of Inorganic Chemistry
May 2009
Simultaneous Interaction of Tetrafluoroethene with Anions and Hydrogen-Bond Donors: A C...
Journal of Chemical Theory and Computation
April 2009
Energetic vs Synergetic Stability: A Theoretical Study
The Journal of Physical Chemistry A
April 2009
Theoretical ab initio study of the interplay between hydrogen bonding, cation–π and π–π...
Theoretical Chemistry Accounts
February 2009
Interplay between anion-π and hydrogen bonding interactions
Journal of Computational Chemistry
January 2009
Theoretical and crystallographic study of edge-to-face aromatic interactions between py...
Chemical Physics Letters
January 2009
1,2,4,5-Tetrazine: an unprecedented μ4-coordination that enhances ability for anion⋯π i...
Dalton Transactions
January 2009
Theoretical and Crystallographic Study of the Dual σ/π Anion Binding Affinity of Quinol...
Journal of Chemical Theory and Computation
November 2008
Interplay between Edge-to-Face Aromatic and Hydrogen-Bonding Interactions
The Journal of Physical Chemistry A
July 2008
Coordination Complexes Exhibiting Anion···π Interactions: Synthesis, Structure, and The...
Inorganic Chemistry
July 2008
Interaction of positively and negatively charged aromatic hydrocarbons with benzene and...
Chemical Physics Letters
July 2008
Molecular Interaction Potential with Polarization (MIPp) Study of the Interplay Between...
The Open Chemical Physics Journal
June 2008
Interplay between cation-π and hydrogen bonding interactions
Chemical Physics Letters
May 2008
Crystallographic and Theoretical Evidence of Anion–π and Hydrogen-Bonding Interactions ...
European Journal of Organic Chemistry
April 2008
On the importance of the inclusion of the basis set superposition error counterpoise co...
Chemical Physics Letters
April 2008
High-Level Ab Initio Study of Anion–π Interactions in Pyridine and Pyrazine Rings Coord...
ChemPhysChem
February 2008
MP2 Study of synergistic effects between X–H/π (X = C,N,O) and π–π interactions
Theoretical Chemistry Accounts
February 2008
MP2 Study of the Dual σ/π−Anion-Binding Affinity of Fluorinated Phthallic Acid Anhydrides
The Journal of Physical Chemistry A
February 2008
A Combined Experimental and Theoretical Study of Anion–π Interactions in Bis(pyrimidin...
European Journal of Organic Chemistry
December 2007
Anion−π Interactions in Bisadenine Derivatives: A Combined Crystallographic and Theore...
Inorganic Chemistry
December 2007
A Combined Experimental and Theoretical Study of Anion–π Interactions in Bis(pyrimidin...
European Journal of Organic Chemistry
December 2007
Induced-Polarization Energy Map: A Helpful Tool for Predicting Geometric Features of A...
Journal of Chemical Theory and Computation
November 2007
A Theoretical Study of Anion–π Interactions in Seven-Membered Rings
ChemPhysChem
June 2007
MP2 study of anion–π complexes of trifluoro-s-triazine with tetrahedral and octahedral ...
Chemical Physics Letters
April 2007
Dual Cation and Anion Acceptor Molecules. The Case of the (η 6 -C 6 H 6 )(η 6 C 6 F 6 ...
The Journal of Physical Chemistry A
April 2007
MP2 study of cooperative effects between cation–π, anion–π and π–π interactions
New Journal of Chemistry
January 2007
Interplay Between Cation-π, Anion-π and π-π Interactions
ChemPhysChem
October 2006
Rational Design, Synthesis, and Application of a New Receptor for the Molecular Recogni...
The Journal of Organic Chemistry
September 2006
MP2 Study of Cation−(π) n −π Interactions ( n = 1−4)
The Journal of Physical Chemistry A
August 2006
Affinity of ferrocene and (1,1′)(3,3′)[3,3]ferrocenophane to cations
Chemical Physics Letters
June 2006
Ab Initio Study of [ n . n ]Paracyclophane ( n = 2, 3) Complexes with Cations: Unprec...
The Journal of Physical Chemistry A
April 2006
Synthesis, X-ray structure analysis and computational studies of novel bis(thiocarbamoy...
Chemical Physics Letters
April 2006
DABCO-Induced Self-Assembly of a Trisporphyrin Double-Decker Cage: Thermodynamic Chara...
Journal of the American Chemical Society
April 2006
A theoretical ab initio study of [n.n]paracyclophane complexes with cations
Chemical Physics Letters
January 2006
Anion-π Interactions in Cyanuric Acids: A Combined Crystallographic and Computational S...
Chemistry - A European Journal
November 2005
Approximate Additivity of Anion−π Interactions: An Ab Initio Study on Anion−π, Anion−...
The Journal of Physical Chemistry A
October 2005
Self-Assembly, Binding, and Dynamic Properties of Heterodimeric Porphyrin Macrocycles
The Journal of Organic Chemistry
August 2005
Ab initio investigations of lithium insertion in boron and nitrogen-doped single-walled...
Chemical Physics Letters
August 2005
Counterintuitive affinity of [2.2]paracyclophane to cations
Chemical Physics Letters
June 2005
Structure and Binding Energy of Anion−π and Cation−π Complexes: A Comparison of MP2, R...
The Journal of Physical Chemistry A
May 2005
Preparation, Solid-State Characterization, and Computational Study of a Crown Ether Att...
Organic Letters
April 2005
DABCO-Directed Self-Assembly of Bisporphyrins (DABCO=1,4-Diazabicyclo[2.2.2]octane)
Chemistry - A European Journal
February 2005
A Theoretical ab initio Study of the Capacity of Several Binding Units for the Molecula...
European Journal of Organic Chemistry
December 2004
Applicability of the 1H NMR chemical shifts computed by the ab initio/GIAO-HF methodolo...
Tetrahedron Letters
December 2004
Cation-π vs anion-π interactions: a complete π-orbital analysis
Chemical Physics Letters
November 2004
Cation−π versus Anion−π Interactions: Energetic, Charge Transfer, and Aromatic Aspects
The Journal of Physical Chemistry A
October 2004
Structural and energetic features of single-walled carbon nanotube junctions: a theoret...
Chemical Physics
August 2004
Cation-π versus anion-π interactions: a comparative ab initio study based on energetic,...
Chemical Physics Letters
July 2004
Self-assembly of [2]Rotaxane Exploiting Reversible Pt(II)- Pyridine Coordinate Bonds
Molecules
April 2004
Conformational Preferences and Self-Template Macrocyclization of Squaramide-Based Folda...
The Journal of Organic Chemistry
April 2004
Ab initio investigations of lithium diffusion in single-walled carbon nanotubes
Chemical Physics
February 2004
Anion–π Interactions: Do They Exist?
Angewandte Chemie
January 2004
Anion–π Interactions: Do They Exist?
Angewandte Chemie International Edition in English
January 2004
A Topological Analysis of the Electron Density in Anion-π Interactions
ChemPhysChem
December 2003
Anion-π interactions in five-membered rings: a combined crystallographic and ab initio ...
Chemical Physics Letters
December 2003
Lithium diffusion in single-walled carbon nanotubes: a theoretical study
Chemical Physics Letters
June 2003
Dual Binding Mode of s -Triazine to Anions and Cations
Organic Letters
June 2003
Intramolecular noncovalent force in cyclic amidines: nonbonded interaction between carb...
Chemical Physics Letters
April 2003
Weak C−H/π Interaction Participates in the Diastereoselectivity of a Host−Guest Complex...
Organic Letters
April 2003
s-Tetrazine as a new binding unit in molecular recognition of anions
Chemical Physics Letters
March 2003
Anion–π interactions: must the aromatic ring be electron deficient?
New Journal of Chemistry
December 2002
Internal rotation in squaramide and related compounds. A theoretical ab initio study
Theoretical Chemistry Accounts
October 2002
Anion–π Interactions: Do They Exist?
Angewandte Chemie International Edition in English
September 2002
Predicting experimental complexation-induced changes in 1H NMR chemical shift for com...
Chemical Physics Letters
July 2002
Counterintuitive interaction of anions with benzene derivatives
Chemical Physics Letters
June 2002
Predicting Experimental Complexation-Induced Changes in 1 H NMR Chemical Shift for Com...
Organic Letters
February 2002
Quantification of Aromaticity in Oxocarbons: The Problem of the Fictitious “Nonaromatic...
Chemistry - A European Journal
January 2002
Quantification of Aromaticity in Oxocarbons: The Problem of the Fictitious “Nonaromatic...
Chemistry - A European Journal
January 2002
A theoretical study of aromaticity in squaramide complexes with anions
Chemical Physics Letters
January 2002
OPLS all-atom force field for squaramides and squaric acid
Chemical Physics Letters
December 2001
A topological analysis of charge density in complexes between derivatives of squaric ac...
Chemical Physics Letters
May 2001
The resonance model in amides: a combined crystallographic and ab initio investigation
New Journal of Chemistry
January 2001
Ab initio calculations on zinc porphyrins complexed to amines: geometrical details and ...
Journal of Molecular Structure THEOCHEM
October 2000
Squaramide as a binding unit in molecular recognition
Chemical Physics Letters
August 2000
Squaramido-based receptors: applicability of molecular interaction potential to molecul...
Theoretical Chemistry Accounts
May 2000
A theoretical study of aromaticity in squaramide and oxocarbons
Tetrahedron Letters
March 2000
OPLS all-atom force field for carbohydrates
Journal of Computational Chemistry
December 1997
OPLS all‐atom force field for carbohydrates
Journal of Computational Chemistry
December 1997
Molecular Recognition of Carbohydrates: Interaction of Diols with Acetate Ion
January 1996
On the Mechanism of Lithiation of Hydric Aromatics: Direct NMR Evidence for Short H−L...
The Journal of Organic Chemistry
January 1996
Predicting Directed Lithiations by Means of MNDO-Determined Agostic Interaction Paramet...
Journal of the American Chemical Society
January 1995
Double group-transfer reactions: a theoretical (AM1) approach
The Journal of Organic Chemistry
December 1992
Origin of the regioselective lithiation of 1,3-disubstituted heteroatom aromatics. MNDO...
Journal of the American Chemical Society
November 1992
The generation of C,O,O-trilithiated derivatives of dihydric phenols
Tetrahedron Letters
December 1991
