Antonio Bauzá
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Antonio Bauzá's Degrees
- PhD Computer Science University of Barcelona
- Masters Artificial Intelligence Stanford University
- Bachelors Computer Engineering University of Barcelona
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(Suggest an Edit or Addition)Antonio Bauzá's Published Works
Number of citations in a given year to any of this author's works
Total number of citations to an author for the works they published in a given year. This highlights publication of the most important work(s) by the author
Published Works
- Tetrel-bonding interaction: rediscovered supramolecular force? (2013) (497)
- The bright future of unconventional σ/π-hole interactions. (2015) (444)
- Aerogen Bonding Interaction: A New Supramolecular Force? (2015) (255)
- On the Reliability of Pure and Hybrid DFT Methods for the Evaluation of Halogen, Chalcogen, and Pnicogen Bonds Involving Anionic and Neutral Electron Donors. (2013) (209)
- Halogen bonding versus chalcogen and pnicogen bonding: a combined Cambridge structural database and theoretical study (2013) (173)
- Tetrel Bonding Interactions. (2016) (153)
- Tetrel bonding interactions at work: Impact on tin and lead coordination compounds (2019) (111)
- A thorough anion–π interaction study in biomolecules: on the importance of cooperativity effects† †Electronic supplementary information (ESI) available: Fig. 1 and 2, Tables 1–24 and all interactions. See DOI: 10.1039/c5sc01386k (2015) (107)
- Pnicogen-π complexes: theoretical study and biological implications. (2012) (98)
- Experimental and Computational Study of Counterintuitive ClO4–···ClO4– Interactions and the Interplay between π+–π and Anion···π+ Interactions (2014) (97)
- Directionality of π-holes in nitro compounds. (2015) (94)
- Rationalization of noncovalent interactions within six new MII/8-aminoquinoline supramolecular complexes (MII = Mn, Cu, and Cd): A combined experimental and theoretical DFT study (2015) (90)
- A combined theoretical and Cambridge Structural Database study of π-hole pnicogen bonding complexes between electron rich molecules and both nitro compounds and inorganic bromides (YO2Br, Y = N, P, and As). (2014) (88)
- Unprecedented structural variations in trinuclear mixed valence Co(II/III) complexes: theoretical studies, pnicogen bonding interactions and catecholase-like activities. (2015) (84)
- Substituent effects in halogen bonding complexes between aromatic donors and acceptors: a comprehensive ab initio study. (2011) (84)
- Design of Lead(II) Metal-Organic Frameworks Based on Covalent and Tetrel Bonding. (2015) (82)
- π-Hole aerogen bonding interactions. (2015) (81)
- 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. (2014) (79)
- A combined experimental and theoretical investigation on the role of halide ligands on the catecholase-like activity of mononuclear nickel(II) complexes with a phenol-based tridentate ligand. (2013) (78)
- Use of metalloligands [CuL] (H2L = salen type di-Schiff bases) in the formation of heterobimetallic copper(II)-uranyl complexes: photophysical investigations, structural variations, and theoretical calculations. (2013) (78)
- On the directionality of anion-π interactions. (2011) (77)
- Spodium bonds: noncovalent interactions involving group 12 of elements. (2020) (76)
- Small cycloalkane (CN)2C-C(CN)2 structures are highly directional non-covalent carbon-bond donors. (2014) (76)
- Towards design strategies for anion–π interactions in crystal engineering (2016) (72)
- Hydrogen Bond, π–π, and CH–π Interactions Governing the Supramolecular Assembly of Some Hydrazone Ligands and Their MnII Complexes – Structural and Theoretical Interpretation (2015) (72)
- Exploration of CH⋯π interactions involving the π-system of pseudohalide coligands in metal complexes of a Schiff-base ligand (2015) (71)
- Non-covalent sp(3) carbon bonding with ArCF3 is analogous to CH-π interactions. (2014) (70)
- Relation between the catalytic efficiency of the synthetic analogues of catechol oxidase with their electrochemical property in the free state and substrate-bound state. (2014) (67)
- Two Polymorphic Forms of a Six-Coordinate Mononuclear Cobalt(II) Complex with Easy-Plane Anisotropy: Structural Features, Theoretical Calculations, and Field-Induced Slow Relaxation of the Magnetization. (2016) (63)
- Computational study of anion recognition based on tetrel and hydrogen bonding interaction by calix[4]pyrrole derivatives (2014) (61)
- Theoretical Study on the Dual Behavior of XeO3 and XeF4 toward Aromatic Rings: Lone Pair-π versus Aerogen-π Interactions. (2015) (60)
- RCH3···O Interactions in Biological Systems: Are They Trifurcated H-Bonds or Noncovalent Carbon Bonds? (2016) (60)
- pH Dependent Formation of Unprecedented Water–Bromide Cluster in the Bromide Salts of PTP Assisted by Anion−π Interactions: Synthesis, Structure, and DFT Study (2014) (59)
- Regium-π bonds: An Unexplored Link between Noble Metal Nanoparticles and Aromatic Surfaces. (2018) (57)
- Synergistic Anion-(π) n-π Catalysis on π-Stacked Foldamers. (2018) (56)
- Screening polymorphism in a Ni(II) metal–organic framework: experimental observations, Hirshfeld surface analyses and DFT studies (2017) (55)
- On the importance of tetrel bonding interactions in lead(ii) complexes with (iso)nicotinohydrazide based ligands and several anions. (2016) (55)
- Concurrent agostic and tetrel bonding interactions in lead(ii) complexes with an isonicotinohydrazide based ligand and several anions. (2016) (55)
- A Strategy to Synthesize Molecular Knots and Links Using the Hydrophobic Effect. (2018) (55)
- NO3− anions can act as Lewis acid in the solid state (2017) (53)
- π-Hole Interactions Involving Nitro Compounds: Directionality of Nitrate Esters (2016) (53)
- Crystal engineering with coordination compounds of NiII, CoII, and CrIII bearing dipicolinic acid driven by the nature of the noncovalent interactions (2014) (53)
- σ/π-Hole noble gas bonding interactions: Insights from theory and experiment (2020) (52)
- σ-Hole Opposite to a Lone Pair: Unconventional Pnicogen Bonding Interactions between ZF3 (Z=N, P, As, and Sb) Compounds and Several Donors. (2016) (51)
- MII–Malonate Complexes (M = Mg, Cu, Ni and Co) Characterized by Layered Structures: Experimental Observation, Hirshfeld Surface Analysis and Theoretical Study (2013) (51)
- Pb⋯X (X = N, S, I) tetrel bonding interactions in Pb(II) complexes: X-ray characterization, Hirshfeld surfaces and DFT calculations (2018) (50)
- Importance of R-CF3···O Tetrel Bonding Interactions in Biological Systems. (2017) (50)
- The influence of H-bonding on the 'ambidentate' coordination behaviour of the thiocyanate ion to Cd(II): a combined experimental and theoretical study. (2014) (49)
- Syntheses, structures, properties and DFT study of hybrid inorganic-organic architectures constructed from trinuclear lanthanide frameworks and Keggin-type polyoxometalates. (2014) (49)
- Salt-bridge–π (sb–π) interactions at work: associative interactions of sb–π, π–π and anion–π in Cu(II)-malonate–2-aminopyridine–hexafluoridophosphate ternary system (2013) (48)
- Three mononuclear octahedral cobalt(III) complexes with salicylaldimine Schiff bases: Synthesis, characterization, phenoxazinone synthase mimicking activity and DFT study on supramolecular interactions (2016) (48)
- Halogen and Chalcogen Bond Energies Evaluated Using Electron Density Properties. (2019) (48)
- Differences in nuclearity, molecular shapes, and coordination modes of azide in the complexes of Cd(II) and Hg(II) with a "metalloligand" [CuL] (H2L = N,N'-bis(salicylidene)-1,3-propanediamine): characterization in solid and in solutions, and theoretical calculations. (2012) (47)
- Quantifying conventional C–H⋯π(aryl) and unconventional C–H⋯π(chelate) interactions in dinuclear Cu(II) complexes: experimental observations, Hirshfeld surface and theoretical DFT study (2018) (47)
- Nature of noncovalent carbon-bonding interactions derived from experimental charge-density analysis. (2015) (44)
- Supramolecularly Regulated Ligands for Asymmetric Hydroformylations and Hydrogenations. (2015) (42)
- A Schiff base platform: structures, sensing of Zn(ii) and PPi in aqueous medium and anticancer activity. (2017) (41)
- Fluorescent sensing of Al3+ by benzophenone based Schiff base chemosensor and live cell imaging applications: Impact of keto-enol tautomerism (2017) (40)
- A crystalline sponge based on dispersive forces suitable for X-ray structure determination of included molecular guests† †Electronic supplementary information (ESI) available: Synthesis of macrocycle 3 together with characterization data. TGA and DSC traces. CIF files of all structures. Computationa (2015) (40)
- Importance of π-Interactions Involving Chelate Rings in Addition to the Tetrel Bonds in Crystal Engineering: A Combined Experimental and Theoretical Study on a Series of Hemi- and Holodirected Nickel(II)/Lead(II) Complexes (2019) (40)
- 1,1,2,2-Tetracyanocyclopropane (TCCP) as supramolecular synthon. (2016) (40)
- Estimation of conventional C-Hπ (arene), unconventional C-Hπ (chelate) and C-Hπ (thiocyanate) interactions in hetero-nuclear nickel(ii)-cadmium(ii) complexes with a compartmental Schiff base. (2017) (39)
- Heteronuclear cobalt(iii)/sodium complexes with salen type compartmental Schiff base ligands: methylene spacer regulated variation in nuclearity. (2018) (39)
- Benzyl Dihydrazone versus Thiosemicarbazone Schiff Base: Effects on the Supramolecular Arrangement of Cobalt Thiocyanate Complexes and the Generation of CoN6 and CoN4S2 Coordination Spheres (2017) (38)
- π–hole interactions at work: crystal engineering with nitro-derivatives (2017) (38)
- A new family of Ni4 and Ni6 aggregates from the self-assembly of [Ni2] building units: role of carboxylate and carbonate bridges. (2015) (38)
- Observation of π-hole interactions in the solid state structures of three new copper(II) complexes with a tetradentate N4 donor Schiff base: Exploration of their cytotoxicity against MDA-MB 468 cells (2017) (37)
- On the importance of antiparallel C O⋯C–F interactions in N 1 -(3-hydroxypropyl)-5-fluorouracilate–Hg(II) complex: A combined X-ray and DFT study (2016) (35)
- Metal-organic and supramolecular lead(II) networks assembled from isomeric nicotinoylhydrazone blocks : the effects of ligand geometry and counter-ion on topology and supramolecular assembly (2016) (35)
- The role of unconventional stacking interactions in the supramolecular assemblies of Hg(II) coordination compounds (2016) (35)
- Crystal engineering with coordination compounds of 2,6-dicarboxy-4-hydroxypyridine and 9-aminoacridine fragments driven by different nature of the face-to-face π⋯π stacking (2014) (34)
- Competition between Halogen Bonding and π-Hole Interactions Involving Various Donors: The Role of Dispersion Effects. (2015) (34)
- Long-range effects in anion-π interactions: their crucial role in the inhibition mechanism of Mycobacterium tuberculosis malate synthase. (2014) (34)
- Exploring the coordinative adaptation and molecular shapes of trinuclear CuM(II) (M = Zn/Cd) complexes derived from salen type Schiff bases: structural and theoretical studies. (2016) (34)
- Synthesis, structural characterization, theoretical calculations and catecholase mimetic activity of manganese-Schiff base complexes (2014) (33)
- Influence of ring size on the strength of carbon bonding complexes between anions and perfluorocycloalkanes. (2014) (33)
- Synthesis, crystal structure, antimicrobial screening and density functional theory calculation of nickel(II), cobalt(II) and zinc(II) mononuclear Schiff base complexes (2015) (32)
- Analysis of the contribution of the π-acidity of the s-tetrazine ring in the crystal packing of coordination polymers (2013) (32)
- Charge-assisted triel bonding interactions in solid state chemistry: A combined computational and crystallographic study (2016) (32)
- On the importance of unprecedented lone pair-salt bridge interactions in Cu(II)-malonate-2-amino-5-chloropyridine-perchlorate ternary system. (2013) (31)
- The development of a promising photosensitive Schottky barrier diode using a novel Cd(ii) based coordination polymer. (2017) (31)
- Understanding the forces that govern packing: a density functional theory and structural investigation of anion-π-anion and nonclassical C-H···anion interactions. (2012) (31)
- X-ray Crystal Structure of a Metalled Double-Helix Generated by Infinite and Consecutive C*-AgI -C* (C*:N1 -Hexylcytosine) Base Pairs through Argentophilic and Hydrogen Bond Interactions. (2017) (31)
- 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 (2014) (31)
- Synthesis, X-ray characterization, DFT calculations and Hirshfeld surface analysis studies of carbohydrazone based on Zn(II) complexes (2016) (30)
- Is the use of diffuse functions essential for the properly description of noncovalent interactions involving anions? (2013) (30)
- Observation of novel oxygen⋯oxygen interaction in supramolecular assembly of cobalt(III) Schiff base complexes: a combined experimental and computational study (2015) (29)
- Concurrent aerogen bonding and lone pair/anion-π interactions in the stability of organoxenon derivatives: a combined CSD and ab initio study. (2017) (29)
- On the importance of anion-π interactions in the mechanism of sulfide:quinone oxidoreductase. (2013) (29)
- Ionpair-π interactions favor cell penetration of arginine/tryptophan-rich cell-penetrating peptides. (2020) (28)
- Molecular recognition of nucleotides in water by scorpiand-type receptors based on nucleobase discrimination. (2014) (28)
- Recurrent supramolecular motifs in discrete complexes and coordination polymers based on mercury halides: prevalence of chelate ring stacking and substituent effects (2018) (28)
- Asymmetric Hydrogenation of Seven-Membered C=N-containing Heterocycles and Rationalization of the Enantioselectivity. (2016) (28)
- Cationic 5-phosphonio-substituted N-heterocyclic carbenes. (2016) (28)
- Synthesis and crystal structures of three new lead(II) isonicotinoylhydrazone derivatives: Anion controlled nuclearity and dimensionality (2017) (28)
- Competition between lone pair-π, halogen-π and triel bonding interactions involving BX3 (X = F, Cl, Br and I) compounds: an ab initio study (2017) (28)
- Intramolecular Spodium Bonds in Zn(II) Complexes: Insights from Theory and Experiment (2020) (27)
- A combined experimental and computational study on supramolecular assemblies in hetero-tetranuclear nickel(ii)-cadmium(ii) complexes with N2O4-donor compartmental Schiff bases. (2016) (27)
- S⋅⋅⋅Sn Tetrel Bonds in the Activation of Peroxisome Proliferator-Activated Receptors (PPARs) by Organotin Molecules. (2018) (27)
- Role of ligand backbone of tridentate Schiff-base on complex nuclearity and bio-relevant catalytic activities of zinc(II) complexes: Experimental and theoretical investigations (2014) (27)
- From monomers to polymers: steric and supramolecular effects on dimensionality of coordination architectures of heteroleptic mercury(II) halogenide–tetradentate Schiff base complexes (2015) (27)
- Catecholase activity, DNA binding and cytotoxicity studies of a Cu(II) complex of a pyridoxal schiff base: synthesis, X-ray crystal structure, spectroscopic, electrochemical and theoretical studies (2016) (27)
- Combined Experimental and Theoretical Investigation of Ligand and Anion Controlled Complex Formation with Unprecedented Structural Features and Photoluminescence Properties of Zinc(II) Complexes (2014) (26)
- A Combined Experimental and Theoretical Study on the Formation of a Cyclic Tetrameric Water Cluster and a Similar Type of Cyclic Cluster in Copper(II) Schiff Base Complexes (2017) (26)
- Cis-trans isomerism in diphenoxido bridged dicopper complexes: role of crystallized water to stabilize the cis isomer, variation in magnetic properties and conversion of both into a trinuclear species. (2012) (26)
- Boron triel bonding: a weak electrostatic interaction lacking electron-density descriptors. (2018) (25)
- Remote Control of Anion–π Catalysis on Fullerene‐Centered Catalytic Triads (2018) (25)
- Substituent effects in cation-π interactions revisited: a general approach based on intrinsic properties of the arenes. (2014) (25)
- Werner type clathrates involving guest benzoic acid and benzoate in discrete Mn(II) hosts: Experimental and theoretical studies (2019) (25)
- Synthesis, X-ray characterization, DFT calculations and Hirshfeld surface analysis of thiosemicarbazone complexes of Mn+ ions (n = 2, 3; M = Ni, Cd, Mn, Co and Cu) (2016) (25)
- Estimating ring strain energies in small carbocycles by means of the Bader's theory of 'atoms-in-molecules' (2012) (25)
- Ligand-Flexibility Controlled and Solvent-Induced Nuclearity Conversion in CuII-Based Catecholase Models: A Deep Insight Through Combined Experimental and Theoretical Investigations (2017) (25)
- Phosphatase Mimicking Activity of Two Zinc(II) Schiff Base Complexes with Zn2O2 Cores: NBO Analysis and MEP Calculation to Estimate Non‐Covalent Interactions (2017) (24)
- Experimental observation and theoretical investigation of a novel Cd(II) complex with π-hole interactions involving nitro groups (2015) (24)
- Triple-bridged ferromagnetic nickel(II) complexes: a combined experimental and theoretical DFT study on stabilization and magnetic coupling. (2014) (24)
- Surprising behaviour of M–CO(lone pair)⋯π(arene) interactions in the solid state of fluorinated oxaphosphirane complexes (2015) (24)
- Solvent-Triggered Cis/Trans Isomerism in Cobalt Dioxolene Chemistry: Distinguishing Effects of Packing on Valence Tautomerism. (2016) (24)
- Exploration of photocatalytic activity of an end-on azide bridged one-dimensional cadmium(II) Schiff base complex for the degradation of organic dye in visible light (2017) (24)
- π‐Hole Interactions Involving Nitro Aromatic Ligands in Protein Structures (2019) (23)
- On the Versatility of BH2 X (X=F, Cl, Br, and I) Compounds as Halogen-, Hydrogen-, and Triel-Bond Donors: An Ab Initio Study. (2016) (23)
- Tetranuclear manganese(II) complexes of hydrazone and carbohydrazone ligands: Synthesis, crystal structures, magnetic properties, Hirshfeld surface analysis and DFT calculations (2016) (23)
- A combined experimental and computational study of supramolecular assemblies in ternary copper(II) complexes with a tetradentate N4 donor Schiff base and halides (2014) (23)
- On the Importance of σ–Hole Interactions in Crystal Structures (2021) (22)
- Hydrothermal synthesis, X-ray structure and DFT and magnetic studies of a (H2SiW12O40)(2-) based one-dimensional linear coordination polymer. (2015) (22)
- Regium-π vs Cation-π Interactions in M2 and MCl (M = Cu, Ag and Au) Complexes with Small Aromatic Systems: An ab Initio Study (2018) (22)
- Electrostatically enhanced FF interactions through hydrogen bonding, halogen bonding and metal coordination: an ab initio study. (2016) (21)
- Auxiliary Part of Ligand Mediated Unique Coordination Chemistry of Copper (II) (2016) (21)
- Tuning of the anion–π interaction (2012) (21)
- Experimental and Theoretical Study of Aromaticity Effects in the Solid State Architecture on Squaric Acid Derivatives (2014) (21)
- Molecular electrostatic potential and “atoms‐in‐molecules” analyses of the interplay between π‐hole and lone pair···π/X–H···π/metal···π interactions (2018) (21)
- H-Bonded anion-anion complex trapped in a squaramido-based receptor. (2018) (21)
- Non-covalent tetrel bonding interactions in hemidirectional lead(ii) complexes with nickel(ii)-salen type metalloligands (2018) (21)
- Synthesis, crystal structure, magnetic property and DFT calculations of an unusual dinuclear μ2-alkoxido bridged iron(III) complex. (2013) (21)
- Synthesis, X-ray characterization, DFT calculations and Hirshfeld surface analysis of Zn(II) and Cd(II) complexes based on isonicotinoylhydrazone ligand (2016) (20)
- A combined experimental and theoretical study of the supramolecular self-assembly of Cu(II) malonate complex assisted by various weak forces and water dimer (2014) (20)
- Formation of a water-mediated assembly of two neutral copper(II) Schiff base fragments with a Cu2(NCS)4 moiety: exploration of non-covalent C–H⋯π(bimetallo ring) interactions (2018) (20)
- On the importance of Pb⋯X (X = O, N, S, Br) tetrel bonding interactions in a series of tetra- and hexa-coordinated Pb(II) compounds (2018) (20)
- A polynuclear and two dinuclear copper(II) Schiff base complexes: Synthesis, characterization, self-assembly, magnetic property and DFT study (2017) (20)
- Hydrogen- and halogen-bond cooperativity in determining the crystal packing of dihalogen charge-transfer adducts : a study case from heterocyclic pentatomic chalcogenone donors (2017) (19)
- σ-Hole halogen bonding interactions in a mixed valence cobalt(III/II) complex and anti-electrostatic hydrogen bonding interaction in a cobalt(III) complex: a theoretical insight (2018) (19)
- Importance of polarization assisted/resonance assisted hydrogen bonding interactions and unconventional interactions in crystal formations of five new complexes bearing chelidamic acid through a proton transfer mechanism (2015) (19)
- Methylene spacer regulated variation in conformation of tetradentate N2O2 donor Schiff bases trapped in manganese(III) complexes (2018) (19)
- A highly selective “ON–OFF” probe for colorimetric and fluorometric sensing of Cu2+ in water (2017) (19)
- H-Bonded anion-anion complexes in fentanyl citrate polymorphs and solvates. (2019) (19)
- A novel method for copper(II) mediated region-selective bromination of aromatic rings under mild conditions (2016) (19)
- Theoretical study on σ- and π-hole carboncarbon bonding interactions: implications in CFC chemistry. (2016) (18)
- Synthesis, X-ray characterization and DFT studies of bis-N-imidazolylpyrimidine salts: the prominent role of hydrogen bonding and anion–π interactions (2014) (18)
- Synthesis, structure, magnetic property and self-assembly of two double end-on azide bridged ferromagnetic nickel(II) complexes with distinct bidentate blocking ligands: A combined experimental and theoretical study (2015) (18)
- Substituent Effects in Multivalent Halogen Bonding Complexes: A Combined Theoretical and Crystallographic Study (2017) (18)
- One pot synthesis of two cobalt(iii) Schiff base complexes with chelating pyridyltetrazolate and exploration of their bio-relevant catalytic activities (2018) (18)
- Chalcogen ‘like-like’ Interactions Involving Trisulphide and Triselenide Compounds: A Combined CSD and Ab Initio Study (2018) (18)
- On the Importance of Pnictogen and Chalcogen Bonding Interactions in Supramolecular Catalysis (2021) (17)
- On the Importance of Halogen–Halogen Interactions in the Solid State of Fullerene Halides: A Combined Theoretical and Crystallographic Study (2017) (17)
- Inorganic–organic hybrid materials based on PbBr2 and pyridine–hydrazone blocks – structural and theoretical study (2016) (17)
- Intramolecular Noncovalent Carbon Bonding Interaction Stabilizes the cis Conformation in Acylhydrazones. (2018) (17)
- Two mixed-ligand cadmium(II) compounds bearing 5-nitrosopyrimidine and N-donor aromatic blocks: self-assembly generation, structural and topological features, DFT studies, and Hirshfeld surface analysis (2016) (17)
- Theoretical ab initio study of anion–π interactions in inorganic rings (2012) (16)
- Anion-reliant structural versatility of novel cadmium(II) complexes: Synthesis, crystal structures, photoluminescence properties and exploration of unusual O···S chalcogen bonding involving thiocyanate coligand (2018) (16)
- Synthesis, structure and DFT study of a chelidamic acid based Cu coordination polymer: On the importance of π–π interactions and hexameric water clusters (2015) (16)
- Experimental and theoretical study of thymine and cytosine derivatives: the crucial role of weak noncovalent interactions (2012) (16)
- Anion–π interactions in [S4N3]+ rings (2013) (16)
- Two new copper and nickel complexes of pyridine-2,6-dicarboxylic acid N-oxide and their proton transferred salts: Solid state and DFT insights (2015) (16)
- Synchronized On/Off Switching of Four Binding Sites for Water in a Molecular Solomon Link. (2019) (16)
- 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 (2015) (16)
- Halogen bonds in Protein-Nucleic Acid recognition. (2020) (16)
- Synthesis, Characterization, DFT Study, Catechol Oxidase and Phenoxazinone Synthase Like Activities of Two New Manganese(IV) Schiff Base Complexes (2017) (16)
- Dinuclear and heptanuclear nickel(II) complexes: Anion coordination induced ligand arm hydrolysis and aggregation around a nickel(II) core (2013) (16)
- On the Importance of Noncovalent Carbon-Bonding Interactions in the Stabilization of a 1D Co(II) Polymeric Chain as a Precursor of a Novel 2D Coordination Polymer. (2016) (16)
- Multicomponent Supramolecular Assemblies of Melamine and α-Hydroxycarboxylic Acids: Understanding the Hydrogen Bonding Patterns and Their Physicochemical Consequences (2018) (16)
- Syntheses of four new asymmetric Schiff bases and their Cu(II) complexes: Theoretical calculations to rationalize the packing of molecules in the crystals (2018) (15)
- Unveiling the effects of the in situ generated arene anion radical and imine radical on catecholase like activity: a DFT supported experimental investigation. (2017) (15)
- Synthesis, X-ray Characterization and DFT study of a novel Fe(III)–Pyridine-2,6-Dicarboxylic Acid N-oxide Complex with Unusual Coordination Mode (2016) (15)
- A combined experimental and theoretical study on supramolecular assemblies in octahedral cobalt(III) salicylaldimine complexes having pendant side arms (2016) (14)
- Ionpair-π interactions favor cell penetration of arginine/tryptophan-rich cell-penetrating peptides (2019) (14)
- Importance of chelate–chelate stacking interactions in crystal structures of square pyramidal copper(II) complexes with two distinct chelating bidentate ligands (2016) (14)
- Bipolar behaviour of salt-bridges: a combined theoretical and crystallographic study (2018) (14)
- On the Importance of C-H/π and C-H⋅⋅⋅H-C Interactions in the Solid State Structure of 15-Lipoxygenase Inhibitors Based on Eugenol Derivatives. (2015) (14)
- Cooperative influence of pseudohalides and ligand backbone of Schiff-bases on nuclearity and stereochemistry of cobalt(iii) complexes: experimental and theoretical investigation. (2017) (14)
- On the Importance of π-Hole Beryllium Bonds: Theoretical Study and Biological Implications. (2017) (14)
- A versatile quinoxaline derivative serves as a colorimetric sensor for strongly acidic pH. (2018) (13)
- Spodium bonding in five coordinated Zn(ii): a new player in crystal engineering? (2021) (13)
- Structural diversity and non-covalent interactions in Cd(II) and Zn(II) complexes derived from 3,5-dinitrobenzoic acid and pyridine: Experimental and theoretical aspects (2016) (13)
- Cadmium(II) complexes containing N,N′-dimethylviolurate as ligand or counteranion: synthesis, characterization, crystal structures and DFT study (2015) (13)
- Influence of para substituents in controlling photophysical behavior and different non-covalent weak interactions in zinc complexes of a phenol based "end-off" compartmental ligand. (2015) (13)
- The first X-ray structure of a silver–nucleotide complex: interaction of ion Ag(I) with cytidine-5′-monophosphate (2017) (13)
- Supramolecular nanotubes based on halogen bonding interactions: cooperativity and interaction with small guests. (2017) (13)
- Syntheses, crystal structures and density functional theory investigations of copper(II) complexes bearing tridentate Schiff base ligands derived from 8-aminoquinoline (2015) (12)
- Surface-grafted lanthanoid complexes of the tungstosilicate polyanion [SiW12O40]4-: a synthetic, structural and computational investigation. (2018) (12)
- Coordination Polymers Based on Phthalic Acid and Aminopyrazine Ligands: On the Importance of N–H···π Interactions (2018) (12)
- New pyridoxal based chemosensor for selective detection of Zn2+: Application in live cell imaging and phosphatase activity response (2017) (12)
- Exploration of unconventional π–hole and C–H⋯H–C types of supramolecular interactions in a trinuclear Cd(II) and a heteronuclear Cd(II)–Ni(II) complex and experimental evidence for preferential site selection of the ligand by 3d and 4d metal ions (2016) (12)
- Reversible switching of the electronic ground state in a pentacoordinated Cu(II) complex. (2013) (12)
- A dodecanuclear copper(II) cage self-assembled from six dicopper building units. (2014) (12)
- Self-assembly synthesis, structure, topology, and magnetic properties of a mononuclear Fe(iii)-violurate derivative: a combined experimental and theoretical study. (2016) (12)
- A versatile chemosensor for the detection of Al3+ and picric acid (PA) in aqueous solution. (2018) (12)
- Two types of nitrito support for μ₄-oxido-bridged [Cu₄] complexes: synthesis, crystal structures, magnetic properties and DFT analysis. (2015) (12)
- The N-atom in [N(PR3)2]+ cations (R = Ph, Me) can act as electron donor for (pseudo) anti-electrostatic interactions (2015) (12)
- The crucial role of chelate-chelate stacking interactions in the crystal structure of a square planar copper(II) complex (2017) (12)
- Metallomacrocycles as anion receptors: combining hydrogen bonding and ion pair based hosts formed from Ag(I) salts and flexible bis- and tris-pyrimidine ligands. (2013) (12)
- Supramolecular assemblies involving salt bridges: DFT and X-ray evidence of bipolarity (2020) (11)
- Selective and Reversible Fluoride Complexation from Water by a Cyclic Tri(phosphonio)methanide Dication. (2017) (11)
- Anion dependent supramolecular architectures in Cu(II) complexes containing N2O-donor Schiff-base and 4,4′-bipyridine ligands: Structural analyses and theoretical studies (2016) (11)
- Synthesis and structure of 1,3-dimethyl-5-(p-sulfonamide-phenylazo)-6-aminouracil and its Ni(II) complex: Topological insights and investigation for noncovalent interactions (2017) (11)
- Complexes of Zinc(II) with N-Imidazolyl- and N-Pyrazolylpyrimidine Donor Ligands: Synthesis, Crystal Structures, and Theoretical Study (2012) (11)
- Synthesis, Structures, and DFT Study of CuBr Based Coordination Polymers via in Situ Reduction of Copper(II) (2015) (11)
- Experimental and theoretical study of weak intermolecular interactions in crystalline tertiary squaramides (2016) (11)
- Lone pair–π vs. σ-hole–π interactions in bromine head-containing oxacalix[2]arene[2]triazines (2018) (11)
- Tetrel Bonding Interactions in Perchlorinated Cyclopenta- and Cyclohexatetrelanes: A Combined DFT and CSD Study (2018) (11)
- Reconciling Experiment and Theory in the Use of Aryl-Extended Calix[4]pyrrole Receptors for the Experimental Quantification of Chloride–π Interactions in Solution (2015) (11)
- Quantifying intramolecular Halogen Bonds in Nucleic Acids: A combined PDB and theoretical study. (2020) (11)
- A combined experimental and theoretical study to explore the importance of σ-Hole carbon bonding interactions in stabilizing molecular assemblies (2017) (11)
- Synthesis, characterization and DFT study on two copper(II) complexes with a naphthalene-based Schiff base: Examples of stronger chelate–chelate interactions than those reported for classical π–π complexes (2019) (10)
- The Mouse in a Trap: Observation of a C(sp3)–F···F–C(sp3) Interaction in a Discrete CFC Pair by the Crystal Sponge Method (2017) (10)
- Nuclearity versus oxidation state in the catalytic efficiency of MnII/III azo Schiff base complexes: computational study on supramolecular interactions and phenoxazinone synthase-like activity (2017) (10)
- Biological promiscuity of a binuclear Cu(ii) complex of aminoguanidine Schiff base: DNA binding, anticancer activity and histidine sensing ability of the complex (2020) (10)
- A combined experimental and theoretical study on two new dinuclear cadmium(II) Schiff base complexes with selenocyanate-κ-Se (2016) (10)
- Regium-π Bonds Are Involved in Protein-Gold Binding. (2020) (10)
- Anion−π Interactions in Hollow Crystals of a Copper(II)-Cyamelurate Coordination Complex (2018) (10)
- Structural basis for molecular recognition, theoretical studies and anti-bacterial properties of three bis-uracil derivatives (2014) (10)
- Formation of an imidazoliumyl-substituted [(LC)4P4]4+ tetracation and transition metal mediated fragmentation and insertion reaction (LC = NHC) (2019) (10)
- Spodium Bonds in Biological Systems: Expanding the Role of Zn in Protein Structure and Function (2021) (10)
- Joining of trinuclear (CuL)2M (M = MnII and CdII) nodes by 1,3- and 1,4-benzenedicarboxylate linkers: positional isomeric effect on co-crystallization (2018) (10)
- Supramolecular interactions through lone pair(lp)–π and hydrogen bonding in cobalt(III) and manganese(II) derivatives of N,N′-dimethylvioluric acid: A combined experimental and theoretical study (2015) (10)
- Polymorphism in secondary squaramides: on the importance of π-interactions involving the four membered ring (2018) (10)
- A combined experimental and computational study of supramolecular assemblies in two photoluminescent cadmium(II) complexes with halosalicylaldimine Schiff bases (2016) (10)
- Self-assembly cavitand precisely recognizing hexafluorosilicate: a concerted action of two coordination and twelve CH···F bonds. (2013) (10)
- Estimating the energy of noncovalent interactions in a dioxovanadium(V) Schiff base complex: Exploration of its phenoxazinone synthase like activity (2018) (10)
- Relevant and unprecedented C-H/σ supramolecular interactions involving σ-aromatic M2X2 cores. (2014) (9)
- Observation of an anion⋯anion interaction in a square planar copper(II) Schiff base complex: DFT study and CSD analysis (2019) (9)
- Spodium Bonds: Noncovalent Interactions Involving Group 12 Elements (2020) (9)
- 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 (2017) (9)
- Structure guided or structure guiding? Mixed carbon/hydrogen bonding in a bis-Schiff base of N-allyl isatin (2018) (9)
- Carboxylate Coordination Assisted Aggregation for Quasi‐Tetrahedral and Partial‐Dicubane [Cu4] Coordination Clusters (2016) (9)
- Solid-state supramolecular architectures of a series of Hg(ii) halide coordination compounds based on hydroxyl-substituted Schiff base ligands (2019) (9)
- Estimation of non-covalent CH⋯π, π⋯π (chelate ring) and hydrogen bonding interactions in vanadium(V) Schiff base complexes: Methylene spacer regulated variation in self-assembly (2017) (9)
- An inorganic-organic hybrid supramolecular framework based on the γ-[Mo8O26]4- cluster and cobalt complex of aspartic acid: X-ray structure and DFT study. (2019) (9)
- Synthesis, structure, physicochemical characterization and theoretical evaluation of non-covalent interaction energy of a polymeric copper(II)-hydrazone complex (2019) (9)
- Electronic Structure of N2P2 Four-Membered Rings and the Effect of Their Ligand Coordination to M(CO)5 (Cr, Mo, and W) (2015) (9)
- The role of π–π stacking and hydrogen-bonding interactions in the assembly of a series of isostructural group IIB coordination compounds (2019) (9)
- Synthesis and investigation of solid and solution state structures of nickel(II) complexes with 1,3-dimethyl-5-(arylazo)-6-aminouracil (2016) (9)
- On the nature of M–CO(lone pair)⋯π(arene) interactions in the solid state of fluorinated oxaphosphirane complexes (2015) (9)
- Experimental and theoretical studies on the coordination chemistry of the N1-hexyl substituted pyrimidines (uracil, 5-fluorouracil and cytosine). (2013) (9)
- Halogenhalogen interactions in decahalo-closo-carboranes: CSD analysis and theoretical study. (2020) (8)
- Effect of temperature and ligand protonation on the electronic ground state in Cu(ii) polymers having unusual secondary interactions: a magnetic and catechol oxidase study. (2018) (8)
- Synthesis and supramolecular self-assembly of thioxothiazolidinone derivatives driven by H-bonding and diverse π–hole interactions: A combined experimental and theoretical analysis (2017) (8)
- n–p interaction study in biomolecules: on the importance of cooperativity effects† (2015) (8)
- Unraveling the dual character of sulfur atoms in a series of Hg(II) coordination polymers containing bis(4-pyridyl)disulfide (2017) (8)
- Introducing Supramolecular Interactions into Robust Bis(tetrabromocatecholate) Chelated Manganese(III) Systems and Biomimetic Catalytic Activity (2017) (8)
- Anion-dependent structural diversity of cadmium(II) complexes: synthesis, crystal structures, luminescence properties, and unusual C-H/σ supramolecular interactions involving σ-aromatic M2X2 cores (2016) (8)
- Two new hydrogen-bonded supramolecular dioxo-molybdenum(VI) complexes based on acetyl-hydrazone ligands: Synthesis, crystal structure and DFT studies (2021) (8)
- Unveiling NO2π···CC π–hole interactions: A combined computational and crystallographic study (2015) (8)
- A rare doubly nitrato and phenoxido bridged trimetallic CuII complex: EPR, antiferromagnetic coupling and theoretical rationalization (2016) (8)
- Modulation in π⋯π, cation⋯π and C–H⋯H–C interactions varying the counter anions in square planar nickel(II) Schiff base complexes: A combined experimental and theoretical study (2016) (8)
- Synthesis, X-ray characterization and computational studies of Cu(II) complexes of N-pyrazolyl pyrimidine. (2012) (8)
- Synthesis of Multinuclear Zn(II) Complexes Involving 8‐Aminoquinoline‐ Based Schiff‐Base Ligand: Structural Diversity, DNA Binding Studies and Theoretical Calculations. (2018) (8)
- An unusual nitroso⋯nitroso interaction in the coordination polymer structures of Ni(II) and Co(II) complexes with the α,ω-bis(benzotriazoloxy)alkane system (2014) (7)
- The first mixed-ligand coordination compound involving 8-aminoquinoline and pyridine-2,6-dicarboxylate: synthesis, X-ray crystal structure, and DFT studies (2015) (7)
- On the relationship between ring strain energies and ‘atoms-in-molecules’ properties in N2P2 rings (2014) (7)
- Solvent-controlled construction of manganese(II) complexes with 4-acetylpyridine nicotinoylhydrazone ligand (2015) (7)
- Influence of ancillary ligands on preferential geometry and biomimetic catalytic activity in manganese(III)-catecholate systems: A combined experimental and theoretical study. (2017) (7)
- Experimental and theoretical study of N1-hexylcytosine and N1-hexylcytosinium nitrate: the crucial role of hydrophobic and anion–π interactions (2013) (7)
- Crystal structures of N6-modified-aminoacid/peptide nucleobase analogs: hybrid adenine–glycine and adenine–glycylglycine molecules (2018) (7)
- Synthesis, crystal structures, magnetic properties and DFT calculations of nitrate and oxalate complexes with 3,5 dimethyl-1-(2′-pyridyl)-pyrazole-Cu(II) (2015) (7)
- Melamine-mediated self-assembly of a Cu(II)–methylmalonate complex assisted by π+–π+ and anti-electrostatic H-bonding interactions (2017) (7)
- Electrostatically enhanced F F interactions through hydrogen bonding, halogen bonding and metal coordination: an ab initio study† (2016) (7)
- Molecular and crystalline architectures based on HgI2: from metallamacrocycles to coordination polymers (2017) (7)
- Bioactive Heterometallic CuII–ZnII Complexes with Potential Biomedical Applications (2018) (7)
- A comparative experimental and theoretical investigation of hydrogen-bond, halogen-bond and π-π interactions in the solid-state supramolecular assembly of 2- and 4-formylphenyl arylsulfonates. (2018) (7)
- Tri-nuclear copper-cadmium complexes of a N2O2-donor ligand with the variation of counter anions: Structural elucidation and theoretical study on inter-molecular interactions (2019) (7)
- Theoretical ab initio study of lone pair and anion–π interactions in fluorinated tropolones (2012) (7)
- A combined crystallographic and theoretical study of weak intermolecular interactions in crystalline squaric acid esters and amides (2017) (6)
- Both end-on and end-to-end azide bridged tetranuclear ferromagnetic nickel(II) Schiff base complexes (2017) (6)
- On the supramolecular properties of neutral, anionic and cationic cadmium complexes harvested from dithiolate–polyamine binary ligand systems (2020) (6)
- Copper(II) polyamine chelates as efficient receptors for acyclovir: syntheses, crystal structures and dft study (2018) (6)
- Direct conversion of white phosphorus to versatile phosphorus transfer reagents via oxidative onioation (2022) (6)
- Weak interactions within nitryl halide heterodimers (2016) (6)
- π-Hole spodium bonding in tri-coordinated Hg(II) complexes. (2021) (6)
- Short X···N Halogen Bonds With Hexamethylenetetraamine as the Acceptor (2021) (6)
- Synthesis, structural features, antibacterial behaviour and theoretical investigation of two new manganese(III) Schiff base complexes (2018) (6)
- closo-Carboranes as dual CHπ and BHπ donors: theoretical study and biological significance. (2019) (6)
- Synthetic Modulation of a Chemosensor Affords Target Metal Ion Switch from Zn2+ to Al3+ (2017) (6)
- Synthesis, Substitution, and Oxidation of Imidazole‐2‐thione Based Tricyclic 1,4‐Dihydro‐1,4‐diphosphinines (2018) (6)
- Analyses of supramolecular interactions present in a coordination polymer of Mn(II) with 2-picolinate and 4,4′-Azobis(pyridine) (2014) (6)
- Isolation of Azadiphosphiridines and Diphosphenimines by Cycloaddition of Azides and a Cationic Diphosphene. (2017) (6)
- Fluorescent Lipid Nanoparticles as Biomembrane Models for Exploring Emerging Contaminant Bioavailability Supported by Density Functional Theory Calculations. (2016) (6)
- Noncovalent Interactions Involving Group 6 in Biological Systems: The Case of Molybdopterin and Tungstopterin Cofactors (2022) (5)
- A new solvated complex of the uranyl ion (UO22+) with 8-hydroxyquinoline (2015) (5)
- Quadrupole moment versus Molecular Electrostatic Potential: Strange behavior of ethynyl-substituted benzenes (2013) (5)
- CHAPTER 9:Quantitative Analysis of Weak Non-covalent σ-Hole and π-Hole Interactions (2018) (5)
- An experimental and computational investigations of supramolecular anion–π/π–π/π–anion assemblies in mononuclear Zn(II) complexes with a versatile tetradentate N-donor Schiff base ligand (2015) (5)
- Coordination Behavior of Chelidamic Acid With VV, NiII, FeIII, and CaII: Syntheses, X‐ray Characterization and DFT Studies (2016) (5)
- Theoretical study of spodium bonding in the active site of three Zn-proteins and several model systems. (2021) (5)
- Charge Assisted S/Se Chalcogen Bonds in SAM Riboswitches: A Combined PDB and ab Initio Study (2021) (5)
- Anion-π Interactions in Supramolecular Chemistry and Catalysis (2015) (5)
- A new oxo centered basic p-chlorobenzoate bridging heterotrinuclear complex, [Cr2MnO(C7H4O2Cl)6(Py)3]C7H5O2Cl: Synthesis, X-ray crystal structure and theoretical DFT study (2014) (5)
- Synthesis, structure, solution and DFT studies of a pyrazine-bridged binuclear Cu(II) complex: On the importance of noncovalent interactions in the formation of crystalline network (2015) (5)
- The roles of H-bonding, π-stacking, and antiparallel CO⋯CO interactions in the formation of a new Gd(III) coordination polymer based on pyridine-2,6-dicarboxylic acid (2017) (5)
- 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. (2014) (5)
- Donor-acceptor interactions in tri(phosphonio)methanide dications [(Ph3P)2CP(X)Ph2]2+ (X = H, Me, CN, NCS, OH, Cl, OTf, F). (2017) (4)
- Hydrogen bonding versus π-interactions: their key competition in sildenafil solvates (2018) (4)
- Binuclear and tetranuclear Zn(ii) complexes with thiosemicarbazones: synthesis, X-ray crystal structures, ATP-sensing, DNA-binding, phosphatase activity and theoretical calculations (2020) (4)
- Metal Coordination Enhances Chalcogen Bonds: CSD Survey and Theoretical Calculations (2022) (4)
- Correction: A crystalline sponge based on dispersive forces suitable for X-ray structure determination of included molecular guests (2016) (4)
- Zinc(II) complexes with uncommon aminal and hemiaminal ether derivatives: synthesis, structure, phosphatase activity and theoretical rationalization of ligand and complex formation (2018) (4)
- Magneto-structural and theoretical study of the weak interactions in a Mn(II) complex with a very unusual N,O-chelating coordination mode of 2-aminoterephthalate (2017) (3)
- Mononuclear and dinuclear trimethylplatinum(IV) iodide complexes of 3-substituted pyridines (2017) (3)
- Inside Cover: The Bright Future of Unconventional σ/π‐Hole Interactions (ChemPhysChem 12/2015) (2015) (3)
- Copper‐Assisted Hemiacetal Synthesis: A CuII Chain Obtained by a One‐Step in situ Reaction of Picolinaldehyde (2014) (3)
- Pseudohalides regulated diverse helicity in copper(II) coordination polymers derived from a bis(aminoethoxy) ligand (2017) (3)
- Synchronized On/Off Switching of Four Binding Sites for Water in a Molecular Solomon Link (2019) (3)
- Exploiting 1,4-naphthoquinone and 3-iodo-1,4-naphthoquinone motifs as anion binding sites by hydrogen or halogen-bonding interactions. (2019) (3)
- Corrigendum: The Bright Future of Unconventional σ/π-Hole Interactions. (2015) (2)
- Ni-Catalysed Intramolecular [4+4]-cycloadditions of bis-dienes towards eight-membered fused bicyclic systems: a combined experimental and computational study (2018) (2)
- Biological halogen bonds in protein-ligand complexes: a combined QTAIM and NCIPlot study in four representative cases. (2021) (2)
- Selenium chalcogen bonds are involved in protein-carbohydrate recognition: a combined PDB and theoretical study. (2021) (2)
- Importance of Anion−π Interactions in RNA GAAA and GGAG Tetraloops: A Combined MD and QM Study (2021) (2)
- Structural and Theoretical Evidence of the Depleted Proton Affinity of the N3-Atom in Acyclovir (2016) (2)
- Synthesis, X-ray Characterization and Density Functional Theory (DFT) Studies of Two Polymorphs of the α,α,α,α, Isomer of Tetra-p-Iodophenyl Tetramethyl Calix[4]pyrrole: On the Importance of Halogen Bonds (2020) (2)
- Enhancing chalcogen bonding by metal coordination. (2022) (2)
- Exploring 3D non-interpenetrated metal–organic framework with malonate-bridged Co(II) coordination polymer: structural elucidation and theoretical study (2017) (2)
- Cu(II)–N6-Alkyladenine Complexes: Synthesis, X-ray Characterization and Magnetic Properties (2018) (2)
- Theoretical study on the degree of delocalization of unpaired spin in two mixed valence copper(II/I) complexes with isomeric chelating diamines and iodide (2016) (2)
- Salt-bridge-p (sb-p) interactions at work: associative interactions of sb-p, p-p and anion-p in Cu(II)- (2013) (2)
- Halide Ion Mediated Aldehyde‐Amine Condensation Leading to Schiff–base and Cyclized Non‐Schiff–base Ligand Complexes of CdII: A Combined Experimental and Theoretical Investigation (2016) (2)
- MELD-DNA: A new tool for capturing protein-DNA binding (2021) (2)
- Structural predictions of protein–DNA binding: MELD-DNA (2023) (1)
- Biomolecules: On the Importance of Cooperativity (2015) (1)
- Importance of Cu and Ag regium-π bonds in supramolecular chemistry and biology: a combined crystallographic and ab initio study. (2022) (1)
- Matere Bonds in Technetium Compounds: CSD Survey and Theoretical Considerations (2023) (1)
- Titelbild: Remote Control of Anion-π Catalysis on Fullerene-Centered Catalytic Triads (Angew. Chem. 34/2018) (2018) (1)
- Frustrated Lewis Pairs based on Carbon···Carbon+ tetrel bonds: A DFT study. María de las Nieves Piña[a], Antonio Frontera[a], Tiddo. J. Mooibroek[b],* and Antonio Bauzá*[a]. (2021) (1)
- Towards N,P-Doped π-Extended PAHs - A One-Pot Synthesis to Diannulated 1,4,2-Diazaphospholium Triflate Salts. (2020) (1)
- Substituent effects in π-hole regium bonding interactions between Au(p-X-Py)2 complexes and Lewis bases: an ab initio study. (2022) (1)
- Selenoxides as Excellent Chalcogen Bond Donors: Effect of Metal Coordination (2022) (1)
- New chloride-dimethylsulfoxide-iridium(III) complex with histaminium (2015) (1)
- On the Importance of Nonbonding Donor-Acceptor Interactions Involving PO2. Radicals: An ab Initio Study. (2017) (1)
- CCDC 1543472: Experimental Crystal Structure Determination (2017) (0)
- Molecular 1,1'-bifunctional mixed-valence P-P compounds, enabled through metal complexation. (2021) (0)
- Cover Picture: On the Versatility of BH2X (X=F, Cl, Br, and I) Compounds as Halogen‐, Hydrogen‐, and Triel‐Bond Donors: An Ab Initio Study (ChemPhysChem 20/2016) (2016) (0)
- CCDC 921149: Experimental Crystal Structure Determination (2013) (0)
- Pb center dot center dot center dot X (X = N, S, I) tetrel bonding interactions in Pb(II) complexes: X-ray characterization, Hirshfeld surfaces and DFT calculations (2018) (0)
- Correction: Two types of nitrito support for μ4-oxido-bridged [Cu4] complexes: synthesis, crystal structures, magnetic properties and DFT analysis. (2015) (0)
- Substituent Effects in Tetrel Bonds Involving Aromatic Silane Derivatives: An ab initio Study (2023) (0)
- Polymorphism in secondary squaramides : on the importance of π-interactions involving the four 1 membered ring † 2 3 4 5 6 7 (2020) (0)
- Cover Feature: Halogen and Chalcogen Bond Energies Evaluated Using Electron Density Properties (ChemPhysChem 1/2020) (2020) (0)
- Asymmetric Hydrogenation of Seven‐Membered C=N‐Containing Heterocycles and Rationalization of the Enantioselectivity. (2016) (0)
- Square Planar Pt(II) Ion as Electron Donor in Pnictogen Bonding Interactions (2023) (0)
- Cover Feature: S⋅⋅⋅Sn Tetrel Bonds in the Activation of Peroxisome Proliferator-Activated Receptors (PPARs) by Organotin Molecules (Chem. Eur. J. 62/2018) (2018) (0)
- CCDC 1489671: Experimental Crystal Structure Determination (2016) (0)
- Construction of Supramolecular Assemblies Based on Anion–π Interactions (2016) (0)
- Inorganic Chemistry Coordination Behavior of Chelidamic Acid With VV , NiII , FeIII , and CaII : Syntheses , X-ray Characterization and DFT Studies (2016) (0)
- “ ON – OFF ” probe for colorimetric and fl uorometric sensing of Cu 2 + in water † (2017) (0)
- Regium−π Bonds Involving Nucleobases: Theoretical Study and Biological Implications (2023) (0)
- CCDC 1569744: Experimental Crystal Structure Determination (2017) (0)
- Back Cover: On the Importance of Nonbonding Donor–Acceptor Interactions Involving PO2. Radicals: An ab Initio Study (ChemPhysChem 16/2017) (2017) (0)
- Cover Picture: On the Importance of Anion–π Interactions in the Mechanism of Sulfide:Quinone Oxidoreductase (Chem. Asian J. 11/2013) (2013) (0)
- ovel oxygen/oxygen interaction in supramolecular assembly of cobalt(III) Schiff base complexes: a combined experimental and computational study† (2015) (0)
- CCDC 1489669: Experimental Crystal Structure Determination (2016) (0)
- Computational Study of Driving Forces in ATSP, PDIQ, and P53 Peptide Binding: C═O···C═O Tetrel Bonding Interactions at Work. (2023) (0)
- Cover Picture: Remote Control of Anion-π Catalysis on Fullerene-Centered Catalytic Triads (Angew. Chem. Int. Ed. 34/2018) (2018) (0)
- Glutamate carboxypeptidase II as a model system for designing host-guest units: a theoretical approach. (2021) (0)
- CCDC 1543471: Experimental Crystal Structure Determination (2017) (0)
- CCDC 1480033: Experimental Crystal Structure Determination (2016) (0)
- Cover Feature: Substituent Effects in π‐Hole Regium Bonding Interactions Between Au( p ‐X‐Py) 2 Complexes and Lewis Bases: An ab initio Study (ChemPhysChem 8/2022) (2022) (0)
- A Comprehensive Ab Initio Study of Halogenated A···U and G···C Base Pair Geometries and Energies (2023) (0)
- Crystallographic characterization and elucidation of unconventional interactions of small molecules (2017) (0)
- CCDC 1477729: Experimental Crystal Structure Determination (2016) (0)
- ic hybrid materials based on PbBr 2 and pyridine – hydrazone blocks – structural and theoretical study † (2016) (0)
- Bifunctional Fluorophosphonium Triflates as Intramolecular Frustrated Lewis Pairs: Reversible CO2 Sequestration and Binding of Carbonyls, Nitriles and Acetylenes (2021) (0)
- Tetrel bonds involving a CF3 group participate in protein-drug recognition: a combined crystallographic and computational study. (2023) (0)
- A homonuclear π-system with a singlet carbene-type α and a nucleophilic β phosphorus - the first use in P-heterocyclic synthesis. (2021) (0)
- Ambiguous reactivity of Li/Cl phosphinidenoid complexes under redox conditions - a novel dichotomy in phosphorus chemistry. (2017) (0)
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What Schools Are Affiliated With Antonio Bauzá?
Antonio Bauzá is affiliated with the following schools:
