Antonio Frontera - Publications

Affiliations: 
 

170 high-probability publications. We are testing a new system for linking publications to authors. You can help! If you notice any inaccuracies, please sign in and mark papers as correct or incorrect matches. If you identify any major omissions or other inaccuracies in the publication list, please let us know.

Year Citation  Score
2021 Guo CX, Schwedtmann K, Fidelius J, Hennersdorf F, Dickschat A, Bauzá A, Frontera A, Weigand JJ. Bifunctional Fluorophosphonium Triflates as Intramolecular Frustrated Lewis Pairs: Reversible CO Sequestration and Binding of Carbonyls, Nitriles and Acetylenes. Chemistry (Weinheim An Der Bergstrasse, Germany). PMID 34432918 DOI: 10.1002/chem.202102382  0.68
2021 Biswal HS, Kumar Sahu A, Frontera A, Bauzá A. Spodium Bonds in Biological Systems: Expanding the Role of Zn in Protein Structure and Function. Journal of Chemical Information and Modeling. PMID 34375103 DOI: 10.1021/acs.jcim.1c00594  0.68
2021 Fernández Riveras JA, Frontera A, Bauzá A. Selenium chalcogen bonds are involved in protein-carbohydrate recognition: a combined PDB and theoretical study. Physical Chemistry Chemical Physics : Pccp. 23: 17656-17662. PMID 34373871 DOI: 10.1039/d1cp01929e  0.68
2021 Llull R, Montalbán G, Vidal I, Gomila RM, Bauzá A, Frontera A. Theoretical study of spodium bonding in the active site of three Zn-proteins and several model systems. Physical Chemistry Chemical Physics : Pccp. 23: 16888-16896. PMID 34328165 DOI: 10.1039/d1cp02150h  0.68
2021 Frontera A, Bauzá A. Biological halogen bonds in protein-ligand complexes: a combined QTAIM and NCIPlot study in four representative cases. Organic & Biomolecular Chemistry. 19: 6858-6864. PMID 34319314 DOI: 10.1039/d1ob01212f  0.68
2021 Gomila RM, Bauza A, Mooibroek TJ, Frontera A. π-Hole spodium bonding in tri-coordinated Hg(II) complexes. Dalton Transactions (Cambridge, England : 2003). 50: 7545-7553. PMID 34037019 DOI: 10.1039/d1dt01235e  0.8
2021 Anyfanti G, Bauzá A, Gentiluomo L, Rodrigues J, Portalone G, Frontera A, Rissanen K, Puttreddy R. Short X···N Halogen Bonds With Hexamethylenetetraamine as the Acceptor. Frontiers in Chemistry. 9: 623595. PMID 33996740 DOI: 10.3389/fchem.2021.623595  0.68
2020 Karmakar M, Frontera A, Chattopadhyay S, Mooibroek TJ, Bauzá A. Intramolecular Spodium Bonds in Zn(II) Complexes: Insights from Theory and Experiment. International Journal of Molecular Sciences. 21. PMID 32993027 DOI: 10.3390/ijms21197091  0.8
2020 Frontera A, Bauzá A. Halogen Bonds in Protein Nucleic Acid Recognition. Journal of Chemical Theory and Computation. 16: 4744-4752. PMID 32579358 DOI: 10.1021/acs.jctc.0c00431  0.68
2020 Mooibroek TJ, Roeleveld JJ, Lekanne Deprez SJ, Verhoofstad A, Frontera A, van der Vlugt JI. Engineering crystals using sp3-C centred tetrel bonding interactions. Chemistry (Weinheim An Der Bergstrasse, Germany). PMID 32557861 DOI: 10.1002/chem.202002613  0.8
2020 Bauzá A, Alkorta I, Elguero J, Mooibroek TJ, Frontera A. Spodium Bonds: Noncovalent Interactions Involving Group 12 Elements. Angewandte Chemie (International Ed. in English). 59: 17482-17487. PMID 32542948 DOI: 10.1002/anie.202007814  0.8
2020 Piña MLN, Bauzá A, Frontera A. Halogenhalogen interactions in decahalo-closo-carboranes: CSD analysis and theoretical study. Physical Chemistry Chemical Physics : Pccp. 22: 6122-6130. PMID 32124890 DOI: 10.1039/d0cp00114g  0.68
2020 Terrón A, Buils J, Mooibroek TJ, Barceló-Oliver M, García-Raso A, Fiol JJ, Frontera A. Synthesis, X-ray characterization and regium bonding interactions of a trichlorido(1-hexylcytosine)gold(iii) complex. Chemical Communications (Cambridge, England). 56: 3524-3527. PMID 32101222 DOI: 10.1039/d0cc00505c  0.8
2020 Dăbuleanu D, Bauzá A, Ortega-Castro J, Escudero-Adán EC, Ballester P, Frontera A. Synthesis, X-ray Characterization and Density Functional Theory (DFT) Studies of Two Polymorphs of the α,α,α,α, Isomer of Tetra--Iodophenyl Tetramethyl Calix[4]pyrrole: On the Importance of Halogen Bonds. Molecules (Basel, Switzerland). 25. PMID 31936802 DOI: 10.3390/molecules25020285  0.68
2020 Bauzá A, Frontera A. Halogen and Chalcogen Bond Energies Evaluated Using Electron Density Properties. Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry. 21: 26-31. PMID 31823488 DOI: 10.1002/cphc.201901001  0.68
2019 Walrant A, Bauzá A, Girardet C, Alves ID, Lecomte S, Illien F, Cardon S, Chaianantakul N, Pallerla M, Burlina F, Frontera A, Sagan S. Ionpair-π interactions favor cell penetration of arginine/tryptophan-rich cell-penetrating peptides. Biochimica Et Biophysica Acta. Biomembranes. 183098. PMID 31676372 DOI: 10.1016/j.bbamem.2019.183098  0.68
2019 Bauzá A, Frontera A, Mooibroek TJ. π-Hole Interactions Involving Nitro Aromatic Ligands in Protein Structures. Chemistry (Weinheim An Der Bergstrasse, Germany). 25: 13436-13443. PMID 31453653 DOI: 10.1002/chem.201903404  0.8
2019 Schwedtmann K, Haberstroh J, Roediger S, Bauzá A, Frontera A, Hennersdorf F, Weigand JJ. Formation of an imidazoliumyl-substituted [(L)P] tetracation and transition metal mediated fragmentation and insertion reaction (L = NHC). Chemical Science. 10: 6868-6875. PMID 31391910 DOI: 10.1039/C9Sc01701A  0.68
2019 Caprice K, Pupier M, Bauzá A, Frontera A, Cougnon FBL. Synchronized On/Off Switching of Four Binding Sites for Water in a Molecular Solomon Link. Angewandte Chemie (International Ed. in English). 58: 8053-8057. PMID 30973659 DOI: 10.1002/anie.201902278  0.68
2019 Tahmasebi M, Mirzaei M, Eshtiagh-Hosseini H, Mague JT, Bauzá A, Frontera A. An inorganic-organic hybrid supramolecular framework based on the γ-[MoO] cluster and cobalt complex of aspartic acid: X-ray structure and DFT study. Acta Crystallographica. Section C, Structural Chemistry. 75: 469-477. PMID 30957793 DOI: 10.1107/S2053229619004029  0.68
2019 Hajiashrafi T, Zekriazadeh R, Flanagan KJ, Kia F, Bauzá A, Frontera A, Senge MO. The role of π-π stacking and hydrogen-bonding interactions in the assembly of a series of isostructural group IIB coordination compounds. Acta Crystallographica. Section C, Structural Chemistry. 75: 178-188. PMID 30720456 DOI: 10.1107/S2053229618018314  0.68
2019 Ganguly S, Bauzá A, Frontera A, Ghosh A. 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 Inorganica Chimica Acta. 492: 142-149. DOI: 10.1016/J.Ica.2019.04.013  0.68
2018 Naseer MM, Hussain M, Bauzá A, Lo KM, Frontera A. Intramolecular Noncovalent Carbon Bonding Interaction Stabilizes the cis Conformation in Acylhydrazones. Chempluschem. 83: 881-885. PMID 31950685 DOI: 10.1002/cplu.201800329  0.68
2018 Bag R, Sikdar Y, Sahu S, Maiti DK, Frontera A, Bauzá A, Drew MGB, Goswami S. A versatile quinoxaline derivative serves as a colorimetric sensor for strongly acidic pH. Dalton Transactions (Cambridge, England : 2003). 47: 17077-17085. PMID 30465572 DOI: 10.1039/c8dt02449a  0.68
2018 Derakhshanrad S, Mirzaei M, Najafi A, Ritchie C, Bauzá A, Frontera A, Mague JT. Surface-grafted lanthanoid complexes of the tungstosilicate polyanion [SiWO]: a synthetic, structural and computational investigation. Acta Crystallographica. Section C, Structural Chemistry. 74: 1300-1309. PMID 30398183 DOI: 10.1107/S2053229618009580  0.68
2018 Naskar B, Bauzá A, Frontera A, Maiti DK, Das Mukhopadhyay C, Goswami S. A versatile chemosensor for the detection of Al and picric acid (PA) in aqueous solution. Dalton Transactions (Cambridge, England : 2003). PMID 30374503 DOI: 10.1039/c8dt02289e  0.68
2018 Escudero-Adán EC, Bauzá A, Lecomte C, Frontera A, Ballester P. Boron triel bonding: a weak electrostatic interaction lacking electron-density descriptors. Physical Chemistry Chemical Physics : Pccp. PMID 30209451 DOI: 10.1039/c8cp04401e  0.68
2018 Cougnon FBL, Caprice K, Pupier M, Bauzá A, Frontera A. A Strategy to Synthesize Molecular Knots and Links Using the Hydrophobic Effect. Journal of the American Chemical Society. 140: 12442-12450. PMID 30152696 DOI: 10.1021/jacs.8b05220  0.68
2018 Andleeb H, Khan I, Bauzá A, Tahir MN, Simpson J, Hameed S, Frontera A. 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. Acta Crystallographica. Section C, Structural Chemistry. 74: 816-829. PMID 29973421 DOI: 10.1107/S2053229618008355  0.68
2018 López-Andarias J, Bauzá A, Sakai N, Frontera A, Matile S. Remote Control of Anion-π Catalysis on Fullerene-Centered Catalytic Triads. Angewandte Chemie (International Ed. in English). PMID 29806724 DOI: 10.1002/Anie.201804092  0.68
2018 Bornhof AB, Bauzá A, Aster A, Pupier M, Frontera A, Vauthey E, Sakai N, Matile S. Synergistic Anion-(π)-π Catalysis on π-Stacked Foldamers. Journal of the American Chemical Society. PMID 29608309 DOI: 10.1021/Jacs.8B00809  0.68
2018 Bauzá A, Frontera A. Regium-π bonds: An unexplored link between noble metal nanoparticles and aromatic surfaces. Chemistry (Weinheim An Der Bergstrasse, Germany). PMID 29521478 DOI: 10.1002/chem.201800820  0.68
2018 Bauzá A, Seth SK, Frontera A. Molecular electrostatic potential and "atoms-in-molecules" analyses of the interplay between π-hole and lone pair···π/X-H···π/metal···π interactions. Journal of Computational Chemistry. 39: 458-463. PMID 28667684 DOI: 10.1002/jcc.24869  0.68
2018 Dutta S, Jana S, Mahapatra P, Bauzá A, Frontera A, Ghosh A. Joining of trinuclear (CuL)2M (M = MnII and CdII) nodes by 1,3- and 1,4-benzenedicarboxylate linkers: positional isomeric effect on co-crystallization Crystengcomm. 20: 6490-6501. DOI: 10.1039/C8Ce01168K  0.68
2018 Naseer MM, Bauzá A, Alnasr H, Jurkschat K, Frontera A. Lone pair–π vs. σ-hole–π interactions in bromine head-containing oxacalix[2]arene[2]triazines Crystengcomm. 20: 3251-3257. DOI: 10.1039/C8Ce00666K  0.68
2018 Mahapatra P, Bauzá A, Frontera A, Drew MGB, Ghosh A. Syntheses of four new asymmetric Schiff bases and their Cu(II) complexes: Theoretical calculations to rationalize the packing of molecules in the crystals Inorganica Chimica Acta. 477: 89-101. DOI: 10.1016/J.Ica.2018.01.035  0.68
2018 López‐Andarias J, Bauzá A, Sakai N, Frontera A, Matile S. Cover Picture: Remote Control of Anion–π Catalysis on Fullerene‐Centered Catalytic Triads (Angew. Chem. Int. Ed. 34/2018) Angewandte Chemie. 57: 10773-10773. DOI: 10.1002/Anie.201806824  0.68
2018 López-Andarias J, Bauzá A, Sakai N, Frontera A, Matile S. Titelbild: Remote Control of Anion-π Catalysis on Fullerene-Centered Catalytic Triads (Angew. Chem. 34/2018) Angewandte Chemie. 130: 10935-10935. DOI: 10.1002/Ange.201806824  0.68
2017 Ghosh K, Harms K, Bauzá A, Frontera A, Chattopadhyay S. Heteronuclear cobalt(iii)/sodium complexes with salen type compartmental Schiff base ligands: methylene spacer regulated variation in nuclearity. Dalton Transactions (Cambridge, England : 2003). PMID 29215111 DOI: 10.1039/c7dt03929h  0.68
2017 Mandal A, Dasgupta S, Ganguly S, Bauzá A, Frontera A, Das D. Cooperative influence of pseudohalides and ligand backbone of Schiff-bases on nuclearity and stereochemistry of cobalt(iii) complexes: experimental and theoretical investigation. Dalton Transactions (Cambridge, England : 2003). PMID 29068013 DOI: 10.1039/c7dt03040a  0.68
2017 Jana NC, Brandão P, Bauzá A, Frontera A, Panja A. Influence of ancillary ligands on preferential geometry and biomimetic catalytic activity in manganese(III)-catecholate systems: A combined experimental and theoretical study. Journal of Inorganic Biochemistry. 176: 77-89. PMID 28865745 DOI: 10.1016/j.jinorgbio.2017.08.008  0.68
2017 Naskar B, Modak R, Maiti DK, Drew MGB, Bauzá A, Frontera A, Das Mukhopadhyay C, Mishra S, Das Saha K, Goswami S. A Schiff base platform: structures, sensing of Zn(ii) and PPi in aqueous medium and anticancer activity. Dalton Transactions (Cambridge, England : 2003). PMID 28702605 DOI: 10.1039/c7dt01932g  0.68
2017 Schwedtmann K, Hennersdorf F, Bauzá A, Frontera A, Fischer R, Weigand JJ. Isolation of Azadiphosphiridines and Diphosphenimines by Cycloaddition of Azides and a Cationic Diphosphene. Angewandte Chemie (International Ed. in English). 56: 6218-6222. PMID 28489265 DOI: 10.1002/Anie.201702058  0.68
2017 Yogendra S, Hennersdorf F, Bauzá A, Frontera A, Fischer R, Weigand JJ. Selective and Reversible Fluoride Complexation from Water by a Cyclic Tri(phosphonio)methanide Dication. Angewandte Chemie (International Ed. in English). 56: 7907-7911. PMID 28481413 DOI: 10.1002/Anie.201701570  0.68
2017 Roy S, Drew MG, Bauzá A, Frontera A, Chattopadhyay S. 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. Dalton Transactions (Cambridge, England : 2003). PMID 28386619 DOI: 10.1039/c6dt04906k  0.68
2017 Bauzá A, Frontera A, Mooibroek TJ. NO- anions can act as Lewis acid in the solid state. Nature Communications. 8: 14522. PMID 28220788 DOI: 10.1038/ncomms14522  0.8
2017 Escudero-Adán EC, Bauzá A, Hernández-Eguía LP, Würthner F, Ballester P, Frontera A. 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 Crystengcomm. 19: 4911-4919. DOI: 10.1039/C6Ce02341J  0.68
2017 Naskar B, Modak R, Sikdar Y, Maiti DK, Bauzá A, Frontera A, Katarkar A, Chaudhuri K, Goswami S. Fluorescent sensing of Al3+ by benzophenone based Schiff base chemosensor and live cell imaging applications: Impact of keto-enol tautomerism Sensors and Actuators, B: Chemical. 239: 1194-1204. DOI: 10.1016/j.snb.2016.08.148  0.68
2017 Jana S, Khan S, Bauzá A, Frontera A, Chattopadhyay S. The crucial role of chelate-chelate stacking interactions in the crystal structure of a square planar copper(II) complex Journal of Molecular Structure. 1127: 355-360. DOI: 10.1016/j.molstruc.2016.07.062  0.68
2017 Mahmoudi G, Dey L, Chowdhury H, Bauzá A, Ghosh BK, Kirillov AM, Seth SK, Gurbanov AV, Frontera A. Synthesis and crystal structures of three new lead(II) isonicotinoylhydrazone derivatives: Anion controlled nuclearity and dimensionality Inorganica Chimica Acta. 461: 192-205. DOI: 10.1016/J.Ica.2017.02.021  0.68
2016 Sanna E, Escudero-Adán EC, Bauzá A, Ballester P, Frontera A, Rotger C, Costa A. Correction: A crystalline sponge based on dispersive forces suitable for X-ray structure determination of included molecular guests. Chemical Science. 7: 2439. PMID 30123463 DOI: 10.1039/c6sc90013e  0.68
2016 Lucas X, Bauzá A, Frontera A, Quiñonero D. A thorough anion-π interaction study in biomolecules: on the importance of cooperativity effects. Chemical Science. 7: 1038-1050. PMID 29899893 DOI: 10.1039/c5sc01386k  0.68
2016 García CM, Bauzá A, Schnakenburg G, Frontera A, Streubel R. Ambiguous reactivity of Li/Cl phosphinidenoid complexes under redox conditions - a novel dichotomy in phosphorus chemistry. Chemical Communications (Cambridge, England). PMID 28008440 DOI: 10.1039/C6Cc09620D  0.68
2016 Roy S, Bhattacharyya A, Purkait S, Bauzá A, Frontera A, Chattopadhyay S. A combined experimental and computational study on supramolecular assemblies in hetero-tetranuclear nickel(ii)-cadmium(ii) complexes with N2O4-donor compartmental Schiff bases. Dalton Transactions (Cambridge, England : 2003). 45: 15048-15059. PMID 27722334 DOI: 10.1039/c6dt02587k  0.68
2016 Panja A, Jana NCh, Bauzá A, Frontera A, Mathonière C. Solvent-Triggered Cis/Trans Isomerism in Cobalt Dioxolene Chemistry: Distinguishing Effects of Packing on Valence Tautomerism. Inorganic Chemistry. 55: 8331-40. PMID 27557848 DOI: 10.1021/acs.inorgchem.6b00402  0.68
2016 Roy S, Oyarzabal I, Vallejo J, Cano J, Colacio E, Bauza A, Frontera A, Kirillov AM, Drew MG, Das S. 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. Inorganic Chemistry. PMID 27500422 DOI: 10.1021/acs.inorgchem.6b01087  0.68
2016 Schwedtmann K, Schoemaker R, Hennersdorf F, Bauzá A, Frontera A, Weiss R, Weigand JJ. Cationic 5-phosphonio-substituted N-heterocyclic carbenes. Dalton Transactions (Cambridge, England : 2003). 45: 11384-96. PMID 27334553 DOI: 10.1039/C6Dt01871H  0.68
2016 Pal P, Konar S, Lama P, Das K, Bauza A, Frontera A, Mukhopadhyay S. On the Importance of Noncovalent Carbon Bonding Interactions in the Stabilization of a 1D Co(II) Polymeric Chain as Precursor of a Novel 2D Coordination Polymer. The Journal of Physical Chemistry. B. PMID 27295490 DOI: 10.1021/acs.jpcb.6b04046  0.68
2016 Mahmoudi G, Bauzá A, Amini M, Molins E, Mague JT, Frontera A. On the importance of tetrel bonding interactions in lead(ii) complexes with (iso)nicotinohydrazide based ligands and several anions. Dalton Transactions (Cambridge, England : 2003). PMID 27278813 DOI: 10.1039/C6Dt01947A  0.68
2016 Bauzá A, Mooibroek TJ, Frontera A. σ-Hole Opposite to a Lone Pair: Unconventional Pnicogen Bonding Interactions between ZF3 (Z=N, P, As, and Sb) Compounds and Several Donors. Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry. 17: 1608-14. PMID 26972801 DOI: 10.1002/cphc.201600073  0.8
2016 Bauzá A, Mooibroek TJ, Frontera A. Tetrel Bonding Interactions. Chemical Record (New York, N.Y.). 16: 473-87. PMID 26814022 DOI: 10.1002/tcr.201500256  0.8
2016 Bauzá A, Frontera A, Mooibroek TJ. 1,1,2,2-Tetracyanocyclopropane (TCCP) as supramolecular synthon. Physical Chemistry Chemical Physics : Pccp. 18: 1693-8. PMID 26674457 DOI: 10.1039/c5cp06350g  0.8
2016 Datta A, Das K, Mane SB, Mendiratta S, Fallah MSE, Garribba E, Bauzá A, Frontera A, Hung C, Sinha C. A rare doubly nitrato and phenoxido bridged trimetallic CuII complex: EPR, antiferromagnetic coupling and theoretical rationalization Rsc Advances. 6: 54856-54865. DOI: 10.1039/C6Ra10674A  0.68
2016 Banik R, Roy S, Kirillov AM, Bauza A, Frontera A, Rodríguez-Diéguez A, Salas JM, Maniukiewicz W, Das SK, Das S. 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 Crystengcomm. 18: 5647-5657. DOI: 10.1039/c6ce00989a  0.68
2016 Hazari A, Das LK, Bauzá A, Frontera A, Ghosh A. Exploring the coordinative adaptation and molecular shapes of trinuclear Cu II 2 MII (M = Zn/Cd) complexes derived from salen type Schiff bases: Structural and theoretical studies Dalton Transactions. 45: 5730-5740. DOI: 10.1039/c5dt04941e  0.68
2016 Mahmoudi G, Castiñeiras A, Garczarek P, Bauzá A, Rheingold AL, Kinzhybalo V, Frontera A. 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) Crystengcomm. 18: 1009-1023. DOI: 10.1039/C5Ce02371H  0.68
2016 Ghosh K, Banerjee A, Roy S, Bauzá A, Frontera A, Chattopadhyay S. A combined experimental and theoretical study on supramolecular assemblies in octahedral cobalt(III) salicylaldimine complexes having pendant side arms Polyhedron. 112: 86-95. DOI: 10.1016/j.poly.2016.03.008  0.68
2016 Ghosh K, Roy S, Ghosh A, Banerjee A, Bauzá A, Frontera A, Chattopadhyay S. Three mononuclear octahedral cobalt(III) complexes with salicylaldimine Schiff bases: Synthesis, characterization, phenoxazinone synthase mimicking activity and DFT study on supramolecular interactions Polyhedron. 112: 6-17. DOI: 10.1016/j.poly.2016.02.035  0.68
2016 Panja A, Jana NC, Patra M, Brandão P, Moore CE, Eichhorn DM, Frontera A. Valence tautomerism induced nucleophilic ipso substitution in a coordinated tetrabromocatecholate ligand and diverse catalytic activity mimicking the function of phenoxazinone synthase Journal of Molecular Catalysis a: Chemical. 412: 56-66. DOI: 10.1016/j.molcata.2015.11.008  0.68
2016 Roy S, Bauzá A, Frontera A, Chattopadhyay S. A combined experimental and computational study of supramolecular assemblies in two photoluminescent cadmium(II) complexes with halosalicylaldimine Schiff bases Inorganica Chimica Acta. 450: 321-329. DOI: 10.1016/j.ica.2016.05.030  0.68
2016 Bhowmik P, Das LK, Bauzá A, Chattopadhyay S, Frontera A, Ghosh A. Anion dependent supramolecular architectures in Cu(II) complexes containing N2O-donor Schiff-base and 4,4′-bipyridine ligands: Structural analyses and theoretical studies Inorganica Chimica Acta. 448: 26-33. DOI: 10.1016/J.Ica.2016.03.049  0.68
2016 Bhattacharya S, Roy S, Harms K, Bauza A, Frontera A, Chattopadhyay S. Importance of chelate-chelate stacking interactions in crystal structures of square pyramidal copper(II) complexes with two distinct chelating bidentate ligands Inorganica Chimica Acta. 442: 16-23. DOI: 10.1016/j.ica.2015.11.002  0.68
2016 Roy S, Bauza A, Frontera A, Schaper F, Banik R, Purkayastha A, Reddy BM, Sridhar B, Drew MGB, Das SK, Das S. 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 Inorganica Chimica Acta. 440: 38-47. DOI: 10.1016/J.Ica.2015.10.025  0.68
2016 Taleghani S, Mirzaei M, Eshtiagh-Hosseini H, Frontera A. Tuning the topology of hybrid inorganic-organic materials based on the study of flexible ligands and negative charge of polyoxometalates: A crystal engineering perspective Coordination Chemistry Reviews. 309: 84-106. DOI: 10.1016/j.ccr.2015.10.004  0.68
2015 Chakraborty P, Adhikary J, Samanta S, Majumder I, Massera C, Escudero D, Ghosh S, Bauza A, Frontera A, Das D. 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. Dalton Transactions (Cambridge, England : 2003). PMID 26527456 DOI: 10.1039/c5dt02768c  0.68
2015 Servati Gargari M, Stilinović V, Bauzá A, Frontera A, McArdle P, Van Derveer D, Ng SW, Mahmoudi G. Design of Lead(II) Metal-Organic Frameworks Based on Covalent and Tetrel Bonding. Chemistry (Weinheim An Der Bergstrasse, Germany). PMID 26489982 DOI: 10.1002/Chem.201501916  0.68
2015 Bauzá A, Mooibroek TJ, Frontera A. Corrigendum: The Bright Future of Unconventional σ/π-Hole Interactions. Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry. 16: 3130. PMID 26489057 DOI: 10.1002/cphc.201500807  0.8
2015 Vidal-Ferran A, Mon I, Bauzá A, Frontera A, Rovira L. Supramolecularly Regulated Ligands for Asymmetric Hydroformylations and Hydrogenations. Chemistry (Weinheim An Der Bergstrasse, Germany). 21: 11417-26. PMID 26119347 DOI: 10.1002/chem.201501441  0.68
2015 Bauzá A, Mooibroek TJ, Frontera A. The bright future of unconventional σ/π-hole interactions. Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry. 16: 2496-517. PMID 26118675 DOI: 10.1002/cphc.201500314  0.8
2015 Escudero-Adán EC, Bauzá A, Frontera A, Ballester P. Nature of Noncovalent Carbon-Bonding Interactions Derived from Experimental Charge-Density Analysis. Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry. PMID 26098702 DOI: 10.1002/cphc.201500437  0.68
2015 Mirzaei M, Nikpour M, Bauzá A, Frontera A. 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 Chemphyschem. 16: 2260-2266. PMID 26014302 DOI: 10.1002/cphc.201500287  0.68
2015 Pait M, Bauzá A, Frontera A, Colacio E, Ray D. A New Family of Ni4 and Ni6 Aggregates from the Self-Assembly of [Ni2] Building Units: Role of Carboxylate and Carbonate Bridges Inorganic Chemistry. 54: 4709-4723. PMID 25933286 DOI: 10.1021/Acs.Inorgchem.5B00039  0.68
2015 Pait M, Shatruk M, Lengyel J, Gómez-Coca S, Bauzá A, Frontera A, Bertolasi V, Ray D. Correction: Two types of nitrito support for μ4-oxido-bridged [Cu4] complexes: synthesis, crystal structures, magnetic properties and DFT analysis. Dalton Transactions (Cambridge, England : 2003). 44: 9691-2. PMID 25928791 DOI: 10.1039/c5dt90077h  0.68
2015 Bauzá A, Quiñonero D, Frontera A, Ballester P. Reconciling experiment and theory in the use of aryl-extended calix[4]pyrrole receptors for the experimental quantification of chloride-π interactions in solution. International Journal of Molecular Sciences. 16: 8934-48. PMID 25913375 DOI: 10.3390/ijms16048934  0.68
2015 Mirzaei M, Eshtiagh-Hosseini H, Alipour M, Bauzá A, Mague JT, Korabik M, Frontera A. Hydrothermal synthesis, X-ray structure and DFT and magnetic studies of a (H2SiW12O40)(2-) based one-dimensional linear coordination polymer. Dalton Transactions (Cambridge, England : 2003). 44: 8824-32. PMID 25865075 DOI: 10.1039/C4Dt03950E  0.68
2015 Pait M, Shatruk M, Lengyel J, Gómez-Coca S, Bauzá A, Frontera A, Bertolasi V, Ray D. Two types of nitrito support for μ₄-oxido-bridged [Cu₄] complexes: synthesis, crystal structures, magnetic properties and DFT analysis. Dalton Transactions (Cambridge, England : 2003). 44: 6107-17. PMID 25729876 DOI: 10.1039/C4Dt03224A  0.68
2015 Bauzá A, Mooibroek TJ, Frontera A. Directionality of π-holes in nitro compounds. Chemical Communications (Cambridge, England). 51: 1491-3. PMID 25493451 DOI: 10.1039/c4cc09132a  0.8
2015 Sanna E, Escudero-Adán EC, Bauzá A, Ballester P, Frontera A, Rotger C, Costa A. A crystalline sponge based on dispersive forces suitable for X-ray structure determination of included molecular guests Chemical Science. 6: 5466-5472. DOI: 10.1039/c5sc01838b  0.68
2015 Das M, Ghosh BN, Bauzá A, Rissanen K, Frontera A, Chattopadhyay S. Observation of novel oxygen⋯oxygen interaction in supramolecular assembly of cobalt(iii) Schiff base complexes: a combined experimental and computational study Rsc Advances. 5: 73028-73039. DOI: 10.1039/c5ra13960k  0.68
2015 Mirzaei M, Eshtiagh-Hosseini H, Shamsipur M, Saeedi M, Ardalani M, Bauzá A, Mague JT, Frontera A, Habibi M. 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 Rsc Advances. 5: 72923-72936. DOI: 10.1039/C5Ra09526C  0.68
2015 Pal P, Konar S, El Fallah MS, Das K, Bauzá A, Frontera A, Mukhopadhyay S. Synthesis, crystal structures, magnetic properties and DFT calculations of nitrate and oxalate complexes with 3,5 dimethyl-1-(2′-pyridyl)-pyrazole-Cu(ii) Rsc Advances. 5: 45082-45091. DOI: 10.1039/c5ra04241k  0.68
2015 Murcia-García C, Bauzá A, Frontera A, Streubel R. On the nature of M-CO(lone pair)···π(arene) interactions in the solid state of fluorinated oxaphosphirane complexes Crystengcomm. 17: 6736-6743. DOI: 10.1039/C5Ce01331C  0.68
2015 Cañellas S, Bauzá A, Lancho A, García-Raso A, Fiol JJ, Molins E, Ballester P, Frontera A. 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 Crystengcomm. 17: 5987-5997. DOI: 10.1039/c5ce01009h  0.68
2015 Bhaumik PK, Bauzá A, Drew MGB, Frontera A, Chattopadhyay S. Syntheses, crystal structures and density functional theory investigations of copper(II) complexes bearing tridentate Schiff base ligands derived from 8-aminoquinoline Crystengcomm. 17: 5664-5671. DOI: 10.1039/c5ce00809c  0.68
2015 Chakraborty P, Purkait S, Mondal S, Bauzá A, Frontera A, Massera C, Das D. Exploration of CH⋯π interactions involving the π-system of pseudohalide coligands in metal complexes of a Schiff-base ligand Crystengcomm. 17: 4680-4690. DOI: 10.1039/c5ce00795j  0.68
2015 Bauzá A, Frontera A, Mooibroek TJ, Reedijk J. The N-atom in [N(PR3)2]+ cations (R = Ph, Me) can act as electron donor for (pseudo) anti-electrostatic interactions Crystengcomm. 17: 3768-3771. DOI: 10.1039/C5Ce00352K  0.68
2015 Murcia-García C, Bauzá A, Schnakenburg G, Frontera A, Streubel R. Surprising behaviour of M-CO(lone pair)⋯π(arene) interactions in the solid state of fluorinated oxaphosphirane complexes Crystengcomm. 17: 1769-1772. DOI: 10.1039/C5Ce00104H  0.68
2015 Roy S, Dey A, Ray PP, Ortega-Castro J, Frontera A, Chattopadhyay S. Application of a novel 2D cadmium(II)-MOF in the formation of a photo-switch with a substantial on-off ratio Chemical Communications. 51: 12974-12976. DOI: 10.1039/c5cc04323a  0.68
2015 Bauzá A, Escudero D, Frontera A, Streubel R. Electronic structure of N2P2 four-membered rings and the effect of their ligand coordination to M(CO)5 (Cr, Mo, and W) Organometallics. 34: 355-360. DOI: 10.1021/Om501142K  0.68
2015 Mirzaei M, Eshtiagh-Hosseini H, Bolouri Z, Rahmati Z, Esmaeilzadeh A, Hassanpoor A, Bauza A, Ballester P, Barceló-Oliver M, Mague JT, Notash B, Frontera A. Rationalization of noncovalent interactions within six new MII/8-aminoquinoline supramolecular complexes (MII = Mn, Cu, and Cd): A combined experimental and theoretical DFT study Crystal Growth and Design. 15: 1351-1361. DOI: 10.1021/Cg501752E  0.68
2015 Jana S, Harms K, Bauzá A, Frontera A, Chattopadhyay S. Synthesis, structures, and DFT study of CuBr based coordination polymers via in situ reduction of copper(II) Crystal Growth and Design. 15: 257-267. DOI: 10.1021/cg5013236  0.68
2015 Roy M, Bauzá A, Frontera A, Banerjee S, Halder S, Saha A. 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 Polyhedron. 102: 764-772. DOI: 10.1016/j.poly.2015.11.005  0.68
2015 Bhattacharyya A, Bhaumik PK, Das M, Bauzá A, Jana PP, Harms K, Frontera A, Chattopadhyay S. 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 Polyhedron. 101: 257-269. DOI: 10.1016/j.poly.2015.08.026  0.68
2015 Servati-Gargari M, Seth SK, LaDuca RL, Yesilel OZ, Pochodylo A, Bauzá A, Jana BC, Arslan T, Frontera A, Mahmoudi G. Solvent-controlled construction of manganese(II) complexes with 4-acetylpyridine nicotinoylhydrazone ligand Inorganica Chimica Acta. 438: 220-231. DOI: 10.1016/j.ica.2015.09.019  0.68
2015 Mirzaei M, Eshtiagh-Hosseini H, Bazargan M, Mehrzad F, Shahbazi M, Mague JT, Bauzá A, Frontera A. Two new copper and nickel complexes of pyridine-2,6-dicarboxylic acid N-oxide and their proton transferred salts: Solid state and DFT insights Inorganica Chimica Acta. 438: 135-145. DOI: 10.1016/J.Ica.2015.08.030  0.68
2015 Banik R, Roy S, Bauza A, Frontera A, Rodríguez-Diéguez A, Salas JM, Kirillov AM, Chowdhury S, Das SK, Das S. 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 Inorganica Chimica Acta. 435: 178-186. DOI: 10.1016/j.ica.2015.06.018  0.68
2015 Saha S, Sasmal A, Roy Choudhury C, Pilet G, Bauzá A, Frontera A, Chakraborty S, Mitra S. Synthesis, crystal structure, antimicrobial screening and density functional theory calculation of nickel(II), cobalt(II) and zinc(II) mononuclear Schiff base complexes Inorganica Chimica Acta. 425: 211-220. DOI: 10.1016/j.ica.2014.10.007  0.68
2015 Sadhukhan D, Maiti M, Pilet G, Bauzá A, Frontera A, Mitra S. Hydrogen bond, π-π, and CH-π interactions governing the supramolecular assembly of some hydrazone ligands and their MnII complexes - Structural and theoretical interpretation European Journal of Inorganic Chemistry. 2015: 1958-1972. DOI: 10.1002/ejic.201500030  0.68
2015 Dhal P, Sasmal A, Gõmez-García CJ, Bauzá A, Frontera A, Pilet G, Mitra S. Copper-assisted hemiacetal synthesis: A CuII Chain obtained by a one-step in situ reaction of picolinaldehyde European Journal of Inorganic Chemistry. 2014: 3271-3278. DOI: 10.1002/ejic.201402176  0.68
2014 Mitra M, Manna P, Bauzá A, Ballester P, Seth SK, Ray Choudhury S, Frontera A, Mukhopadhyay S. 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. The Journal of Physical Chemistry. B. 118: 14713-26. PMID 25419617 DOI: 10.1021/jp510075m  0.68
2014 Bauzá A, Mooibroek TJ, Frontera A. Non-covalent sp(3) carbon bonding with ArCF3 is analogous to CH-π interactions. Chemical Communications (Cambridge, England). 50: 12626-9. PMID 25198298 DOI: 10.1039/c4cc05602g  0.8
2014 Chakraborty P, Adhikary J, Ghosh B, Sanyal R, Chattopadhyay SK, Bauzá A, Frontera A, Zangrando E, Das D. Relation between the catalytic efficiency of the synthetic analogues of catechol oxidase with their electrochemical property in the free state and substrate-bound state. Inorganic Chemistry. 53: 8257-69. PMID 25072328 DOI: 10.1021/ic5005177  0.68
2014 Bauzá A, Mooibroek TJ, Frontera A. Small cycloalkane (CN)2C-C(CN)2 structures are highly directional non-covalent carbon-bond donors. Chemistry (Weinheim An Der Bergstrasse, Germany). 20: 10245-8. PMID 25042133 DOI: 10.1002/chem.201403680  0.8
2014 Bauzá A, Mooibroek TJ, Frontera A. Influence of ring size on the strength of carbon bonding complexes between anions and perfluorocycloalkanes. Physical Chemistry Chemical Physics : Pccp. 16: 19192-7. PMID 25005519 DOI: 10.1039/c4cp01983k  0.8
2014 Galán A, Escudero-Adán EC, Frontera A, Ballester P. Synthesis, structure, and binding properties of lipophilic cavitands based on a calix[4]pyrrole-resorcinarene hybrid scaffold. The Journal of Organic Chemistry. 79: 5545-57. PMID 24846099 DOI: 10.1021/jo5007224  0.68
2014 Biswas R, Diaz C, Bauzá A, Barceló-Oliver M, Frontera A, Ghosh A. Triple-bridged ferromagnetic nickel(II) complexes: a combined experimental and theoretical DFT study on stabilization and magnetic coupling. Dalton Transactions (Cambridge, England : 2003). 43: 6455-67. PMID 24619138 DOI: 10.1039/C3Dt52764F  0.68
2014 Cánaves MM, Cabra MI, Bauzá A, Cañellas P, Sánchez K, Orvay F, García-Raso A, Fiol JJ, Terrón A, Barceló-Oliver M, Ballester P, Mata I, Molins E, Hussain F, Frontera A. 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. Dalton Transactions (Cambridge, England : 2003). 43: 6353-64. PMID 24599509 DOI: 10.1039/c3dt52700j  0.68
2014 Escudero D, Frontera A, Streubel R. Electronic structure of N₂P₂ four-membered rings. Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry. 15: 1599-603. PMID 24596321 DOI: 10.1002/Cphc.201301233  0.68
2014 Inclán M, Albelda MT, Carbonell E, Blasco S, Bauzá A, Frontera A, García-España E. Molecular recognition of nucleotides in water by scorpiand-type receptors based on nucleobase discrimination. Chemistry (Weinheim An Der Bergstrasse, Germany). 20: 3730-41. PMID 24574302 DOI: 10.1002/chem.201303861  0.68
2014 Adriaenssens L, Gil-Ramírez G, Frontera A, Quiñonero D, Escudero-Adán EC, Ballester P. Thermodynamic characterization of halide-π interactions in solution using "two-wall" aryl extended calix[4]pyrroles as model system. Journal of the American Chemical Society. 136: 3208-18. PMID 24494711 DOI: 10.1021/ja412098v  0.68
2014 Ghosh AK, Pait M, Clérac R, Mathonière C, Bertolasi V, Bauzá A, Frontera A, Pramanik K, Ray D. A dodecanuclear copper(II) cage self-assembled from six dicopper building units. Dalton Transactions (Cambridge, England : 2003). 43: 4076-85. PMID 24457598 DOI: 10.1039/C3Dt53144A  0.68
2014 Mirzaei M, Eshtiagh-Hosseini H, Karrabi Z, Molčanov K, Eydizadeh E, Mague JT, Bauzá A, Frontera A. Crystal engineering with coordination compounds of NiII, CoII, and CrIII bearing dipicolinic acid driven by the nature of the noncovalent interactions Crystengcomm. 16: 5352-5363. DOI: 10.1039/C4Ce00325J  0.68
2014 Mirzaei M, Eshtiagh-Hosseini H, Bauzá A, Zarghami S, Ballester P, Mague JT, Frontera A. 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 Crystengcomm. 16: 6149-6158. DOI: 10.1039/c4ce00003j  0.68
2014 Manna P, Seth SK, Mitra M, Choudhury SR, Bauzá A, Frontera A, Mukhopadhyay S. Experimental and computational study of counterintuitive ClO4 -⋯ClO4 - interactions and the interplay between π+-π and anion⋯π+ interactions Crystal Growth and Design. 14: 5812-5821. DOI: 10.1021/cg5014126  0.68
2014 Chakraborty P, Adhikary J, Samanta S, Escudero D, Castro AC, Swart M, Ghosh S, Bauzá A, Frontera A, Zangrando E, Das D. Combined experimental and theoretical investigation of ligand and anion controlled complex formation with unprecedented structural features and photoluminescence properties of zinc(II) complexes Crystal Growth and Design. 14: 4111-4123. DOI: 10.1021/Cg500717N  0.68
2014 Manna P, Seth SK, Bauzá A, Mitra M, Ray Choudhury S, Frontera A, Mukhopadhyay S. PH dependent formation of unprecedented water-bromide cluster in the bromide salts of PTP assisted by Anion-π interactions: Synthesis, structure, and DFT study Crystal Growth and Design. 14: 747-755. DOI: 10.1021/cg401615r  0.68
2014 Seth P, Bauzá A, Frontera A, Ghosh A. Analyses of supramolecular interactions present in a coordination polymer of Mn(II) with 2-picolinate and 4,4′-Azobis(pyridine) Inorganic Chemistry Communications. 41: 1-5. DOI: 10.1016/J.Inoche.2013.12.015  0.68
2014 Bauzá A, Streubel R, Frontera A. On the relationship between ring strain energies and 'atoms-in-molecules' properties in N2P2 rings Chemical Physics Letters. 597: 40-44. DOI: 10.1016/J.Cplett.2014.02.018  0.68
2013 Adhikary J, Chakraborty P, Das S, Chattopadhyay T, Bauzá A, Chattopadhyay SK, Ghosh B, Mautner FA, Frontera A, Das D. 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. Inorganic Chemistry. 52: 13442-52. PMID 24246066 DOI: 10.1021/ic401819t  0.68
2013 Bauzá A, Mooibroek TJ, Frontera A. Tetrel-bonding interaction: rediscovered supramolecular force? Angewandte Chemie (International Ed. in English). 52: 12317-21. PMID 24123575 DOI: 10.1002/anie.201306501  0.8
2013 Degtyarenko AS, Rusanov EB, Bauzá A, Frontera A, Krautscheid H, Chernega AN, Mokhir AA, Domasevitch KV. Self-assembly cavitand precisely recognizing hexafluorosilicate: a concerted action of two coordination and twelve CH···F bonds. Chemical Communications (Cambridge, England). 49: 9018-20. PMID 23970336 DOI: 10.1039/c3cc45271a  0.68
2013 Sasmal A, Saha S, Gómez-García CJ, Desplanches C, Garribba E, Bauzá A, Frontera A, Scott R, Butcher RJ, Mitra S. Reversible switching of the electronic ground state in a pentacoordinated Cu(II) complex. Chemical Communications (Cambridge, England). 49: 7806-8. PMID 23884406 DOI: 10.1039/C3Cc44276D  0.68
2013 Mitra M, Manna P, Das A, Seth SK, Helliwell M, Bauzá A, Choudhury SR, Frontera A, Mukhopadhyay S. On the importance of unprecedented lone pair-salt bridge interactions in Cu(II)-malonate-2-amino-5-chloropyridine-perchlorate ternary system. The Journal of Physical Chemistry. A. 117: 5802-11. PMID 23796026 DOI: 10.1021/jp4046066  0.68
2013 Aragay G, Frontera A, Lloveras V, Vidal-Gancedo J, Ballester P. Different nature of the interactions between anions and HAT(CN)6: from reversible anion-π complexes to irreversible electron-transfer processes (HAT(CN)6 = 1,4,5,8,9,12-hexaazatriphenylene). Journal of the American Chemical Society. 135: 2620-7. PMID 23339278 DOI: 10.1021/ja309960m  0.68
2013 Seth P, Bauzá A, Frontera A, Massera C, Gamez P, Ghosh A. Analysis of the contribution of the π-acidity of the s-tetrazine ring in the crystal packing of coordination polymers Crystengcomm. 15: 3031-3039. DOI: 10.1039/c3ce00058c  0.68
2013 Mitra M, Manna P, Seth SK, Das A, Meredith J, Helliwell M, Bauzá A, Choudhury SR, Frontera A, Mukhopadhyay S. 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 Crystengcomm. 15: 686-696. DOI: 10.1039/c2ce26790j  0.68
2013 Mitra M, Seth SK, Choudhury SR, Manna P, Das A, Helliwell M, Bauzá A, Frontera A, Mukhopadhyay S. MII-malonate complexes (M = Mg, Cu, Ni and Co) characterized by layered structures: Experimental observation, hirshfeld surface analysis and theoretical study European Journal of Inorganic Chemistry. 4679-4685. DOI: 10.1002/ejic.201300459  0.68
2012 Das LK, Kadam RM, Bauzá A, Frontera A, Ghosh A. 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. Inorganic Chemistry. 51: 12407-18. PMID 23131113 DOI: 10.1021/Ic301773H  0.68
2012 Brooker S, White NG, Bauzá A, Deyà PM, Frontera A. Understanding the forces that govern packing: a density functional theory and structural investigation of anion-π-anion and nonclassical C-H···anion interactions. Inorganic Chemistry. 51: 10334-40. PMID 22974250 DOI: 10.1021/Ic3014688  0.68
2012 Cañellas P, Bauzá A, García-Raso A, Fiol JJ, Deyà PM, Molins E, Mata I, Frontera A. Synthesis, X-ray characterization and computational studies of Cu(ii) complexes of N-pyrazolyl pyrimidine Dalton Transactions. 41: 11161-11169. PMID 22868487 DOI: 10.1039/c2dt31162c  0.68
2012 Manna P, Seth SK, Das A, Hemming J, Prendergast R, Helliwell M, Choudhury SR, Frontera A, Mukhopadhyay S. Anion induced formation of supramolecular associations involving lone pair-π and anion-π interactions in Co(II) malonate complexes: experimental observations, Hirshfeld surface analyses and DFT studies. Inorganic Chemistry. 51: 3557-71. PMID 22356090 DOI: 10.1021/ic202317f  0.68
2012 Barceló-Oliver M, Baquero BA, Bauzá A, García-Raso A, Terrón A, Mata I, Molins E, Frontera A. Experimental and theoretical study of thymine and cytosine derivatives: The crucial role of weak noncovalent interactions Crystengcomm. 14: 5777-5784. DOI: 10.1039/c2ce25580d  0.68
2012 Biswas A, Estarellas C, Frontera A, Ballester P, Drew MGB, Gamez P, Ghosh A. Effect of a methyl group on the spontaneous resolution of a square-pyramidal coordination compound: Crystal packing and conglomerate formation Crystengcomm. 14: 5854-5861. DOI: 10.1039/C2Ce25497B  0.68
2011 Frontera A, Gamez P, Mascal M, Mooibroek TJ, Reedijk J. Putting anion-π interactions into perspective. Angewandte Chemie (International Ed. in English). 50: 9564-83. PMID 21928463 DOI: 10.1002/Anie.201100208  0.68
2011 Das A, Choudhury SR, Estarellas C, Dey B, Frontera A, Hemming J, Helliwell M, Gamez P, Mukhopadhyay S. Supramolecular assemblies involving anion-π and lone pair-π interactions: Experimental observation and theoretical analysis Crystengcomm. 13: 4519-4527. DOI: 10.1039/c0ce00593b  0.68
2011 Seth SK, Saha I, Estarellas C, Frontera A, Kar T, Mukhopadhyay S. Supramolecular self-assembly of M-IDA complexes involving lone-pair ⋯φ Interactions: Crystal structures, hirshfeld surface analysis, and DFT calculations [H2IDA = iminodiacetic acid, M = Cu(II), Ni(II)] Crystal Growth and Design. 11: 3250-3265. DOI: 10.1021/cg200506q  0.68
2010 Das A, Choudhury SR, Dey B, Yalamanchili SK, Helliwell M, Gamez P, Mukhopadhyay S, Estarellas C, Frontera A. Supramolecular assembly of Mg(II) complexes directed by associative lone pair-pi/pi-pi/pi-anion-pi/pi-lone pair interactions. The Journal of Physical Chemistry. B. 114: 4998-5009. PMID 20355711 DOI: 10.1021/jp911884x  0.68
2009 González-Alvarez A, Frontera A, Ballester P. Thermodynamic characterization of the self-assembly process of a three component heterobimetallic bisporphyrin macrocycle. The Journal of Physical Chemistry. B. 113: 11479-89. PMID 19634875 DOI: 10.1021/jp9053742  0.68
2009 Angel GR, Albertí FM, Fiol JJ, Tasada A, Miquel BO, Molins E, Estarellas C, Frontera A, Quinonero D, Deyà PM. 2-Aminopyrimidine derivatives exhibiting anion- π interactions: A combined crystallographic and theoretical study Crystal Growth and Design. 9: 2363-2376. DOI: 10.1021/cg801245g  0.68
2008 Barrios LA, Aromí G, Frontera A, Quiñonero D, Deyà PM, Gamez P, Roubeau O, Shotton EJ, Teat SJ. Coordination complexes exhibiting anion...pi interactions: synthesis, structure, and theoretical studies. Inorganic Chemistry. 47: 5873-81. PMID 18510284 DOI: 10.1021/Ic800215R  0.44
2008 Estarellas C, Quiñonero D, Frontera A, Ballester P, Morey J, Costa A, Deyà PM. MP2 study of the dual sigma/pi-anion-binding affinity of fluorinated phthallic acid anhydrides. The Journal of Physical Chemistry. A. 112: 1622-6. PMID 18220377 DOI: 10.1021/jp710572f  0.68
2008 Quiñonero D, Frontera A, Escudero D, Ballester P, Costa A, Deyà PM. MP2 Study of synergistic effects between X-H/π (X = C,N,O) and π-π Interactions Theoretical Chemistry Accounts. 120: 385-393. DOI: 10.1007/s00214-008-0416-9  0.68
2008 Rotger C, Soberats B, Quiñonero D, Frontera A, Ballester P, Benet-Buchholz J, Deyà PM, Costa A. Crystallographic and theoretical evidence of anion-π and hydrogen-bonding interactions in a squaramide-nitrate salt European Journal of Organic Chemistry. 1864-1868. DOI: 10.1002/ejoc.200701209  0.68
2007 Escudero D, Frontera A, Quiñonero D, Costa A, Ballester P, Deyà PM. Induced-Polarization Energy Map:  A Helpful Tool for Predicting Geometric Features of Anion-π Complexes. Journal of Chemical Theory and Computation. 3: 2098-107. PMID 26636203 DOI: 10.1021/ct700122y  0.68
2007 Quiñonero D, Frontera A, Escudero D, Ballester P, Costa A, Deyà PM. A theoretical study of anion-pi interactions in seven-membered rings. Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry. 8: 1182-7. PMID 17492729 DOI: 10.1002/cphc.200700100  0.68
2007 Frontera A, Quiñonero D, Costa A, Ballester P, Deyà PM. MP2 study of cooperative effects between cation-π, anion-π and π-π interactions New Journal of Chemistry. 31: 556-560. DOI: 10.1039/b612848c  0.68
2007 Garau C, Quiñonero D, Frontera A, Escudero D, Ballester P, Costa A, Deyà PM. MP2 study of anion-π complexes of trifluoro-s-triazine with tetrahedral and octahedral anions Chemical Physics Letters. 438: 104-108. DOI: 10.1016/j.cplett.2007.02.047  0.68
2006 Quiñonero D, Frontera A, Garau C, Ballester P, Costa A, Deyà PM. Interplay between cation-pi, anion-pi and pi-pi interactions. Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry. 7: 2487-91. PMID 17072938 DOI: 10.1002/cphc.200600343  0.68
2006 Frontera A, Morey J, Oliver A, Piña MN, Quiñonero D, Costa A, Ballester P, Deyà PM, Anslyn EV. Rational design, synthesis, and application of a new receptor for the molecular recognition of tricarboxylate salts in aqueous media. The Journal of Organic Chemistry. 71: 7185-95. PMID 16958511 DOI: 10.1021/Jo0609327  0.68
2006 Frontera A, Quiñonero D, Garau C, Costa A, Ballester P, Deyà PM. MP2 study of cation-(pi)n-pi interactions (n = 1-4). The Journal of Physical Chemistry. A. 110: 9307-9. PMID 16869676 DOI: 10.1021/jp062176e  0.68
2006 Ballester P, Oliva AI, Costa A, Deyà PM, Frontera A, Gomila RM, Hunter CA. DABCO-Induced self-assembly of a trisporphyrin double-decker cage: thermodynamic characterization and guest recognition. Journal of the American Chemical Society. 128: 5560-9. PMID 16620130 DOI: 10.1021/Ja060608T  0.68
2006 Frontera A, Quiñonero D, Garau C, Costa A, Ballester P, Deyà PM. Ab initio study of [n.n]paracyclophane (n = 2, 3) complexes with cations: unprecedented through-space substituent effects. The Journal of Physical Chemistry. A. 110: 5144-8. PMID 16610837 DOI: 10.1021/jp056976l  0.68
2006 Frontera A, Quiñonero D, Garau C, Ballester P, Costa A, Deyà PM, Pichierri F. A theoretical ab initio study of [n.n]paracyclophane complexes with cations Chemical Physics Letters. 417: 371-377. DOI: 10.1016/j.cplett.2005.10.038  0.68
2005 Quiñonero D, Garau C, Frontera A, Ballester P, Costa A, Deyà PM. Structure and binding energy of anion-pi and cation-pi complexes: a comparison of MP2, RI-MP2, DFT, and DF-DFT methods. The Journal of Physical Chemistry. A. 109: 4632-7. PMID 16833802 DOI: 10.1021/jp044616c  0.68
2005 Garau C, Quiñonero D, Frontera A, Ballester P, Costa A, Deyà PM. Approximate additivity of anion-pi interactions: an ab initio study on anion-pi, anion-pi(2) and anion-pi(3) complexes. The Journal of Physical Chemistry. A. 109: 9341-5. PMID 16833275 DOI: 10.1021/jp053380p  0.68
2005 Ballester P, Costa A, Deyà PM, Frontera A, Gomila RM, Oliva AI, Sanders JK, Hunter CA. Self-assembly, binding, and dynamic properties of heterodimeric porphyrin macrocycles. The Journal of Organic Chemistry. 70: 6616-22. PMID 16095278 DOI: 10.1021/Jo0505369  0.68
2005 Frontera A, Orell M, Garau C, Quiñonero D, Molins E, Mata I, Morey J. Preparation, solid-state characterization, and computational study of a crown ether attached to a squaramide Organic Letters. 7: 1437-1440. DOI: 10.1021/ol0474608  0.68
2005 Quiñonero D, Frontera A, Garau C, Costa A, Ballester P, Deyà PM. Ab initio investigations of lithium insertion in boron and nitrogen-doped single-walled carbon nanotubes Chemical Physics Letters. 411: 256-261. DOI: 10.1016/j.cplett.2005.06.035  0.68
2005 Quiñonero D, Frontera A, Garau C, Ballester P, Costa A, Deyà PM, Pichierri F. Counterintuitive affinity of [2.2]paracyclophane to cations Chemical Physics Letters. 408: 59-64. DOI: 10.1016/j.cplett.2005.03.150  0.68
2005 March JG, Gual M, Frontera AD. o-Tolidine: A new reagent for a simple nephelometric determination of anionic surfactants Analytica Chimica Acta. 539: 305-310. DOI: 10.1016/j.aca.2005.03.020  0.68
Show low-probability matches.