Nature and Strength of Lewis Acid/Base Interaction in Boron and Nitrogen Trihalides von Rodrigues Silva, Daniela, Azevedo Santos, Lucas, P. Freitas, Matheus, Fonseca Guerra, Célia, Hamlin, Trevor A.

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The Gauche Effect in XCH2CH2X Revisited von Rodrigues Silva, Daniela, Azevedo Santos, Lucas, Hamlin, Trevor A., Fonseca Guerra, Célia, Freitas, Matheus P., Bickelhaupt, F. Matthias

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Synthesis and special characterization through X-ray analysis of 1,8-dioxooctahydroxanthenes von da Silva, Milene Lopes, Teixeira, Róbson Ricardo, de Azevedo Santos, Lucas, Martins, Felipe Terra, Ramalho, Teodorico Castro

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The pnictogen bond: a quantitative molecular orbital picture von de Azevedo Santos, Lucas, Hamlin, Trevor A, Ramalho, Teodorico C, Bickelhaupt, F. Matthias

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Intermolecular Covalent Interactions: Nature and Directionality von Azevedo Santos, Lucas, Ramalho, Teodorico C., Hamlin, Trevor A., Bickelhaupt, F. Matthias

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“Hydridic Hydrogen-Bond Donors” Are Not Hydrogen-Bond Donors von de Azevedo Santos, Lucas, Vermeeren, Pascal, Bickelhaupt, F. Matthias, Fonseca Guerra, Célia

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Chalcogen bonds: Hierarchical ab initio benchmark and density functional theory performance study von Azevedo Santos, Lucas, Ramalho, Teodorico C., Hamlin, Trevor A., Bickelhaupt, F. Matthias

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Multiple hydrogen-bonded dimers: are only the frontier atoms relevant? von Nieuwland, Celine, Almacellas, David, Veldhuizen, Mac M, de Azevedo Santos, Lucas, Poater, Jordi, Fonseca Guerra, Célia

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The nature of metallophilic interactions in closed-shell d8–d8 metal complexes von de Azevedo Santos, Lucas, Wagner, Timon, Visscher, Klaas, Nitsch, Jörn, Bickelhaupt, F Matthias, Célia Fonseca Guerra

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Stabilization of Diborynes versus Destabilization of Diborenes by Coordination of Lewis Bases: Unravelling the Dichotomy von Azevedo Santos, Lucas, Trujillo‐González, Daniel E., Jiménez‐Halla, J. Oscar C., Bickelhaupt, F. Matthias, Solà, Miquel

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Redox Conversion of Cobalt(II)‐Diselenide to Cobalt(III)‐Selenolate Compounds: Comparison with Their Sulfur Analogs von Marvelous, Christian, Azevedo Santos, Lucas, Siegler, Maxime A., Fonseca Guerra, Célia, Bouwman, Elisabeth

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Iodine Gauche Effect Induced by an Intramolecular Hydrogen Bond von Martins, Francisco A., de Azevedo Santos, Lucas, Rodrigues Silva, Daniela, Fonseca Guerra, Célia, Bickelhaupt, F. Matthias, Freitas, Matheus P.

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Halogen Bonds in Ligand–Protein Systems: Molecular Orbital Theory for Drug Design von Margiotta, Enrico, van der Lubbe, Stephanie C. C, de Azevedo Santos, Lucas, Paragi, Gabor, Moro, Stefano, Bickelhaupt, F. Matthias, Fonseca Guerra, Célia

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A Quantitative Molecular Orbital Perspective of the Chalcogen Bond von Azevedo Santos, Lucas, Lubbe, Stephanie C. C., Hamlin, Trevor A., Ramalho, Teodorico C., Matthias Bickelhaupt, F.

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Dipolar repulsion in α-halocarbonyl compounds revisited von Rodrigues Silva, Daniela, de Azevedo Santos, Lucas, Hamlin, Trevor A, Bickelhaupt, F. Matthias, Freitas, Matheus, Fonseca Guerra, Célia

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σ‐Electrons Responsible for Cooperativity and Ring Equalization in Hydrogen‐Bonded Supramolecular Polymers von Azevedo Santos, Lucas, Cesario, Diego, Vermeeren, Pascal, Lubbe, Stephanie C. C., Nunzi, Francesca, Fonseca Guerra, Célia

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Structural analysis of two tetraketones and theoretical investigation of the reactions involved in their preparation von da Silva, Milene Lopes, Teixeira, Róbson Ricardo, de Azevedo Santos, Lucas, Martins, Felipe Terra, Ramalho, Teodorico Castro

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Experimental and theoretical studies of solvent polarity influence on the preparation of molecularly imprinted polymers for the removal of estradiol from water von Santos Xavier, Leandro Pablo dos, Dias, Ana Carolina, Baeta, Bruno Eduardo Lobo, de Azevedo Santos, Lucas, Ramalho, Teodorico Castro, de Aquino, Sérgio Francisco, da Silva, Adilson Candido

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Molecularly imprinted polymers for selective adsorption of quinoline: theoretical and experimental studies von Martínez Saavedra, Liz Nayibe, Penido, Ricardo Gonçalves, de Azevedo Santos, Lucas, Ramalho, Teodorico C, Lobo Baeta, Bruno E, Pereira, Márcio C, Candido da Silva, Adilson

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Could Quantum Mechanical Properties Be Reflected on Classical Molecular Dynamics? The Case of Halogenated Organic Compounds of Biological Interest von Santos, Lucas de Azevedo, Prandi, Ingrid G, Ramalho, Teodorico C

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