Célia Fonseca Guerra (C Fonseca Guerra)

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Publication Activity (10 Years)

Years Active: 2016-2024
Publications (10 Years): 68

Top Venues

Chemistry (Weinheim an der Bergstrasse, Germany)

Physical chemistry chemical physics : PCCP

Chemphyschem : a European journal of chemical physics and physical chemistry

Chemistry, an Asian journal

Leiden University

This page only lists publications with an associated author ORCID identifier.

Affiliation History

Leiden University

Netherlands

Prof. Dr. :: Theoretical Chemistry

VU Amsterdam

Netherlands

Prof. Dr. :: Theoretical Chemistry

Publications

Lucas de Azevedo Santos, Timon Wagner, Klaas Visscher, Jörn Nitsch, Friedrich Matthias Bickelhaupt, Célia Fonseca Guerra
The nature of metallophilic interactions in closed-shell d 8 -d 8 metal complexes. Physical chemistry chemical physics : PCCP 26 (31) (2024)
Celine Nieuwland, Ron Verdijk, Célia Fonseca Guerra, Friedrich Matthias Bickelhaupt
More Electropositive is More Electronegative: Atom Size Determines C=X Group Electronegativity. Chemistry (Weinheim an der Bergstrasse, Germany) 30 (15) (2024)
Celine Nieuwland, Célia Fonseca Guerra
Chalcogen Atom Size: A Key Parameter in Modulating Carbonyl Compound Properties. Chemistry (Weinheim an der Bergstrasse, Germany) 30 (24) (2024)
Juan D Velasquez, Jorge Echeverría, Célia Fonseca Guerra, Santiago Álvarez
Azido-mediated intermolecular interactions of transition metal complexes. Physical chemistry chemical physics : PCCP 26 (8) (2024)
Lucas de Azevedo Santos, Timon Wagner, Klaas Visscher, Jörn Nitsch, Friedrich Matthias Bickelhaupt, Célia Fonseca Guerra
The nature of metallophilic interactions in closed-shell d 8 -d 8 metal complexes. Physical chemistry chemical physics : PCCP (2024)
Celine Nieuwland, Célia Fonseca Guerra
Chalcogen Atom Size: A Key Parameter in Modulating Carbonyl Compound Properties. Chemistry (Weinheim an der Bergstrasse, Germany) (2024)
Lucas de Azevedo Santos, Timon Wagner, Klaas Visscher, Jörn Nitsch, Friedrich Matthias Bickelhaupt, Célia Fonseca Guerra
The nature of metallophilic interactions in closed-shell d 8 -d 8 metal complexes. Physical chemistry chemical physics : PCCP 26 (31) (2024)
Lucas de Azevedo Santos, Timon Wagner, Klaas Visscher, Jörn Nitsch, Friedrich Matthias Bickelhaupt, Célia Fonseca Guerra
The nature of metallophilic interactions in closed-shell d 8 -d 8 metal complexes. Physical chemistry chemical physics : PCCP 26 (31) (2024)
Juan D Velasquez, Jorge Echeverría, Célia Fonseca Guerra, Santiago Álvarez
Azido-mediated intermolecular interactions of transition metal complexes. Physical chemistry chemical physics : PCCP (2024)
Lucas de Azevedo Santos, Pascal Vermeeren, Friedrich Matthias Bickelhaupt, Célia Fonseca Guerra
"Hydridic Hydrogen-Bond Donors" Are Not Hydrogen-Bond Donors. Journal of the American Chemical Society (2024)
Juan D Velasquez, Jorge Echeverría, Célia Fonseca Guerra, Santiago Álvarez
Azido-mediated intermolecular interactions of transition metal complexes. Physical chemistry chemical physics : PCCP 26 (8) (2024)
Celine Nieuwland, Ron Verdijk, Célia Fonseca Guerra, Friedrich Matthias Bickelhaupt
More Electropositive is More Electronegative: Atom Size Determines C=X Group Electronegativity. Chemistry (Weinheim an der Bergstrasse, Germany) (2023)
Celine Nieuwland, Pascal Vermeeren, Friedrich Matthias Bickelhaupt, Célia Fonseca Guerra
Understanding chemistry with the symmetry-decomposed Voronoi deformation density charge analysis. Journal of computational chemistry (2023)
David Almacellas, Célia Fonseca Guerra, Jordi Poater
Strengthened cooperativity of DNA-based cyclic hydrogen-bonded rosettes by subtle functionalization. Organic & biomolecular chemistry (2023)
Celine Nieuwland, David Almacellas, Mac M Veldhuizen, Lucas de Azevedo Santos, Jordi Poater, Célia Fonseca Guerra
Multiple hydrogen-bonded dimers: are only the frontier atoms relevant? Physical chemistry chemical physics : PCCP (2023)
Andre Nicolai Petelski, Célia Fonseca Guerra
Understanding the influence of alkali cations and halogen anions on the cooperativity of cyclic hydrogen-bonded rosettes in supramolecular stacks. Chemistry, an Asian journal (2022)
Christian Marvelous, Lucas de Azevedo Santos, Maxime A Siegler, Célia Fonseca Guerra, Elisabeth Bouwman
Cleaner and stronger: how 8-quinolinolate facilitates formation of Co(III)-thiolate from Co(II)-disulfide complexes. Dalton transactions (Cambridge, England : 2003) 51 (31) (2022)
Taís F C B de Andrade, Hélio F Dos Santos, Célia Fonseca Guerra, Diego F S Paschoal
Computational Prediction of Tc-99 NMR Chemical Shifts in Technetium Complexes with Radiopharmaceutical Applications. The journal of physical chemistry. A 126 (32) (2022)
Celine Nieuwland, Célia Fonseca Guerra
How the Chalcogen Atom Size Dictates the Hydrogen-Bond Donor Capability of Carboxamides, Thioamides, and Selenoamides. Chemistry (Weinheim an der Bergstrasse, Germany) 28 (31) (2022)
Friedrich Matthias Bickelhaupt, Célia Fonseca Guerra, Mariusz Paweł Mitoraj, F Sagan, Artur Michalak, Sudip Pan, Gernot Frenking
Clarifying notes on the bonding analysis adopted by the energy decomposition analysis. Physical chemistry chemical physics : PCCP 24 (26) (2022)
Stephanie Ten Brinck, Celine Nieuwland, Angela van der Werf, Richard M P Veenboer, Harold Linnartz, Friedrich Matthias Bickelhaupt, Célia Fonseca Guerra
Polycyclic Aromatic Hydrocarbons (PAHs) in Interstellar Ices: A Computational Study into How the Ice Matrix Influences the Ionic State of PAH Photoproducts. ACS earth & space chemistry 6 (3) (2022)
Celine Nieuwland, Trevor A Hamlin, Célia Fonseca Guerra, Giampaolo Barone, Friedrich Matthias Bickelhaupt
B-DNA Structure and Stability: The Role of Nucleotide Composition and Order. ChemistryOpen 11 (2) (2022)
Celine Nieuwland, Célia Fonseca Guerra
How the Chalcogen Atom Size Dictates the Hydrogen-Bond Donor Capability of Carboxamides, Thioamides, and Selenoamides. Chemistry (Weinheim an der Bergstrasse, Germany) 28 (31) (2022)
Christian Marvelous, Lucas de Azevedo Santos, Maxime A Siegler, Célia Fonseca Guerra, Elisabeth Bouwman
Probing the redox-conversion of Co(II)-disulfide to Co(III)-thiolate complexes: the effect of ligand-field strength. Dalton transactions (Cambridge, England : 2003) 51 (20) (2022)
Francisco A Martins, Lucas de Azevedo Santos, Daniela Rodrigues Silva, Célia Fonseca Guerra, Friedrich Matthias Bickelhaupt, Matheus P DE Freitas
Iodine Gauche Effect Induced by an Intramolecular Hydrogen Bond. The Journal of organic chemistry 87 (17) (2022)
Celine Nieuwland, Trevor A Hamlin, Célia Fonseca Guerra, Giampaolo Barone, Friedrich Matthias Bickelhaupt
B-DNA Structure and Stability: The Role of Nucleotide Composition and Order. ChemistryOpen 11 (2) (2022)
Daniela Rodrigues Silva, Lucas de Azevedo Santos, Trevor A Hamlin, Célia Fonseca Guerra, Matheus P DE Freitas, Friedrich Matthias Bickelhaupt
The Gauche Effect in XCH2 CH2 X Revisited. Chemphyschem : a European journal of chemical physics and physical chemistry 22 (7) (2021)
Olatz Larrañaga, Ana Arrieta, Célia Fonseca Guerra, Friedrich Matthias Bickelhaupt, Abel de Cózar
Nature of Alkali- and Coinage-Metal Bonds versus Hydrogen Bonds. Chemistry, an Asian journal 16 (4) (2021)
Ashim Nandi, Naziha Tarannam, Daniela Rodrigues Silva, Célia Fonseca Guerra, Trevor A Hamlin, Sebastian Kozuch
Boron Tunneling in the "Weak" Bond-Stretch Isomerization of N-B Lewis Adducts. Chemphyschem : a European journal of chemical physics and physical chemistry 22 (18) (2021)
Lucas de Azevedo Santos, Diego Cesario, Pascal Vermeeren, Stephanie C C van der Lubbe, Francesca Nunzi, Célia Fonseca Guerra
σ-Electrons Responsible for Cooperativity and Ring Equalization in Hydrogen-Bonded Supramolecular Polymers. ChemPlusChem 87 (2) (2021)
Pascal Vermeeren, Willem-Jan van Zeist, Trevor A Hamlin, Célia Fonseca Guerra, Friedrich Matthias Bickelhaupt
Not Carbon s-p Hybridization, but Coordination Number Determines C-H and C-C Bond Length. Chemistry (Weinheim an der Bergstrasse, Germany) 27 (24) (2021)
Pascal Vermeeren, Lando P Wolters, Gabor Paragi, Célia Fonseca Guerra
Cooperative Self-Assembly in Linear Chains Based on Halogen Bonds. ChemPlusChem 86 (6) (2021)
Lucas de Azevedo Santos, Diego Cesario, Pascal Vermeeren, Stephanie C C van der Lubbe, Francesca Nunzi, Célia Fonseca Guerra
σ-Electrons Responsible for Cooperativity and Ring Equalization in Hydrogen-Bonded Supramolecular Polymers. ChemPlusChem (2021)
Daniela Rodrigues Silva, Lucas de Azevedo Santos, Trevor A Hamlin, Friedrich Matthias Bickelhaupt, Matheus P DE Freitas, Célia Fonseca Guerra
Dipolar repulsion in α-halocarbonyl compounds revisited. Physical chemistry chemical physics : PCCP 23 (37) (2021)
Francesco Zaccaria, Stephanie C C van der Lubbe, Celine Nieuwland, Trevor A Hamlin, Célia Fonseca Guerra
How Divalent Cations Interact with the Internal Channel Site of Guanine Quadruplexes. Chemphyschem : a European journal of chemical physics and physical chemistry 22 (22) (2021)
Francesco Zaccaria, Stephanie C C van der Lubbe, Celine Nieuwland, Trevor A Hamlin, Célia Fonseca Guerra
How Divalent Cations Interact with the Internal Channel Site of Guanine Quadruplexes. Chemphyschem : a European journal of chemical physics and physical chemistry 22 (22) (2021)
Celine Nieuwland, Francesco Zaccaria, Célia Fonseca Guerra
Understanding alkali metal cation affinities of multi-layer guanine quadruplex DNA. Physical chemistry chemical physics : PCCP 22 (37) (2021)
Ayush K Narsaria, Julian D Ruijter, Trevor A Hamlin, Andreas W Ehlers, Célia Fonseca Guerra, Koop Lammertsma, Friedrich Matthias Bickelhaupt
Performance of TDDFT Vertical Excitation Energies of Core-Substituted Naphthalene Diimides. Journal of computational chemistry 41 (15) (2020)
Stephanie C C van der Lubbe, Pascal Vermeeren, Célia Fonseca Guerra, Friedrich Matthias Bickelhaupt
The Nature of Nonclassical Carbonyl Ligands Explained by Kohn-Sham Molecular Orbital Theory. Chemistry (Weinheim an der Bergstrasse, Germany) 26 (67) (2020)
Stephanie C C van der Lubbe, Anissa Haim, Thor van Heesch, Célia Fonseca Guerra
Tuning the Binding Strength of Even and Uneven Hydrogen-Bonded Arrays with Remote Substituents. The journal of physical chemistry. A 124 (45) (2020)
Olga A Stasyuk, Miquel Solá, Marcel Swart, Célia Fonseca Guerra, Tadeusz Marek Krygowski, Halina Szatylowicz
Effect of Alkali Metal Cations on Length and Strength of Hydrogen Bonds in DNA Base Pairs. Chemphyschem : a European journal of chemical physics and physical chemistry 21 (18) (2020)
Enrico Margiotta, Stephanie C C van der Lubbe, Lucas de Azevedo Santos, Gabor Paragi, Stefano Moro, Friedrich Matthias Bickelhaupt, Célia Fonseca Guerra
Halogen Bonds in Ligand-Protein Systems: Molecular Orbital Theory for Drug Design. Journal of chemical information and modeling 60 (3) (2020)
Daniela Rodrigues Silva, Lucas de Azevedo Santos, Matheus P DE Freitas, Célia Fonseca Guerra, Trevor A Hamlin
Nature and Strength of Lewis Acid/Base Interaction in Boron and Nitrogen Trihalides. Chemistry, an Asian journal 15 (23) (2020)
Ayush K Narsaria, Jordi Poater, Célia Fonseca Guerra, Andreas W Ehlers, Trevor A Hamlin, Koop Lammertsma, Friedrich Matthias Bickelhaupt
Distortion-Controlled Redshift of Organic Dye Molecules. Chemistry (Weinheim an der Bergstrasse, Germany) 26 (9) (2020)
Girolamo Casella, Célia Fonseca Guerra, Silvia Carlotto, Paolo Sgarbossa, Roberta Bertani, Maurizio Casarin
New light on an old debate: does the RCN-PtCl2 bond include any back-donation? RCN←PtCl2 backbonding vs. the IR νC[triple bond, length as m-dash]N blue-shift dichotomy in organonitriles-platinum(ii) complexes. A thorough density functional theory - energy decomposition analysis study. Dalton transactions (Cambridge, England : 2003) 48 (34) (2019)
Kaj M van Vliet, Lara H Polak, Maxime A Siegler, Jarl Ivar van der Vlugt, Célia Fonseca Guerra, Bas de Bruin
Efficient Copper-Catalyzed Multicomponent Synthesis of N-Acyl Amidines via Acyl Nitrenes. Journal of the American Chemical Society 141 (38) (2019)
Stephanie C C van der Lubbe, Francesco Zaccaria, Xiaobo Sun, Célia Fonseca Guerra
Secondary Electrostatic Interaction Model Revised: Prediction Comes Mainly from Measuring Charge Accumulation in Hydrogen-Bonded Monomers. Journal of the American Chemical Society 141 (12) (2019)
Zakaria Boughlala, Célia Fonseca Guerra, Friedrich Matthias Bickelhaupt
Alkali Metal Cation Affinities of Neutral Maingroup-Element Hydrides across the Periodic Table. The journal of physical chemistry. A 123 (42) (2019)
Andre Nicolai Petelski, Célia Fonseca Guerra
Designing Self-Assembled Rosettes: Why Ammeline is a Superior Building Block to Melamine. ChemistryOpen 8 (2) (2019)
Stephanie C C van der Lubbe, Célia Fonseca Guerra
The Nature of Hydrogen Bonds: A Delineation of the Role of Different Energy Components on Hydrogen Bond Strengths and Lengths. Chemistry, an Asian journal 14 (16) (2019)
Ayush K Narsaria, Jordi Poater, Célia Fonseca Guerra, Andreas W Ehlers, Koop Lammertsma, Friedrich Matthias Bickelhaupt
Rational design of near-infrared absorbing organic dyes: Controlling the HOMO-LUMO gap using quantitative molecular orbital theory. Journal of computational chemistry 39 (32) (2019)
Heather M Coubrough, Stephanie C C van der Lubbe, Kristina Hetherington, Aisling Minard, Christopher Pask, Mark J Howard, Célia Fonseca Guerra, Andrew J Wilson
Supramolecular Self-Sorting Networks using Hydrogen-Bonding Motifs. Chemistry (Weinheim an der Bergstrasse, Germany) 25 (3) (2018)
Feng Jiang, Maxime A Siegler, Xiaobo Sun, Lin Jiang, Célia Fonseca Guerra, Elisabeth Bouwman
Redox Interconversion between Cobalt(III) Thiolate and Cobalt(II) Disulfide Compounds. Inorganic chemistry 57 (15) (2018)
Empar Vengut-Climent, Pablo Peñalver, Ricardo Lucas, Irene Gómez-Pinto, Anna Aviñó, Alicia M Muro-Pastor, Elsa Galbis, M Violante de Paz, Célia Fonseca Guerra, Friedrich Matthias Bickelhaupt, Ramón Eritja, Carlos González, Juan Carlos Morales
Glucose-nucleobase pairs within DNA: impact of hydrophobicity, alternative linking unit and DNA polymerase nucleotide insertion studies. Chemical science 9 (14) (2018)
Maria B Brands, Jörn Nitsch, Célia Fonseca Guerra
Relevance of Orbital Interactions and Pauli Repulsion in the Metal-Metal Bond of Coinage Metals. Inorganic chemistry 57 (5) (2018)
M Natalia C Zarycz, Célia Fonseca Guerra
NMR 1H-Shielding Constants of Hydrogen-Bond Donor Reflect Manifestation of the Pauli Principle. The journal of physical chemistry letters 9 (13) (2018)
Francesco Zaccaria, Célia Fonseca Guerra
RNA versus DNA G-Quadruplex: The Origin of Increased Stability. Chemistry (Weinheim an der Bergstrasse, Germany) 24 (61) (2018)
Alice A Grosch, Stephanie C C van der Lubbe, Célia Fonseca Guerra
Nature of Intramolecular Resonance Assisted Hydrogen Bonding in Malonaldehyde and Its Saturated Analogue. The journal of physical chemistry. A 122 (6) (2018)
Andre Nicolai Petelski, Célia Fonseca Guerra
Designing Self-Assembled Rosettes: Why Ammeline is a Superior Building Block to Melamine. ChemistryOpen 8 (2) (2018)
Zakaria Boughlala, Célia Fonseca Guerra, Friedrich Matthias Bickelhaupt
Alkali Metal Cation Affinities of Anionic Main Group-Element Hydrides Across the Periodic Table. Chemistry, an Asian journal 12 (19) (2017)
Dominik A Megger, Patrick M Lax, Jeroen Paauwe, Célia Fonseca Guerra, Bernhard Lippert
Mixed guanine, adenine base quartets: possible roles of protons and metal ions in their stabilization. Journal of biological inorganic chemistry : JBIC : a publication of the Society of Biological Inorganic Chemistry 23 (1) (2017)
Stephanie C C van der Lubbe, Célia Fonseca Guerra
Hydrogen-Bond Strength of CC and GG Pairs Determined by Steric Repulsion: Electrostatics and Charge Transfer Overruled. Chemistry (Weinheim an der Bergstrasse, Germany) 23 (43) (2017)
Gabor Paragi, Célia Fonseca Guerra
Cooperativity in the Self-Assembly of the Guanine Nucleobase into Quartet and Ribbon Structures on Surfaces. Chemistry (Weinheim an der Bergstrasse, Germany) 23 (13) (2017)
Biswarup Jash, Philipp Scharf, Nikolas Sandmann, Célia Fonseca Guerra, Dominik A Megger, Jens Müller
A metal-mediated base pair that discriminates between the canonical pyrimidine nucleobases. Chemical science 8 (2) (2016)
Zakaria Boughlala, Célia Fonseca Guerra, Friedrich Matthias Bickelhaupt
Alkali Metal Cation versus Proton and Methyl Cation Affinities: Structure and Bonding Mechanism. ChemistryOpen 5 (3) (2016)
Justyna Dominikowska, Friedrich Matthias Bickelhaupt, Marcin Palusiak, Célia Fonseca Guerra
Source of Cooperativity in Halogen-Bonded Haloamine Tetramers. Chemphyschem : a European journal of chemical physics and physical chemistry 17 (4) (2016)
Matúš Durec, Francesco Zaccaria, Célia Fonseca Guerra, Radek Marek
Modified Guanines as Constituents of Smart Ligands for Nucleic Acid Quadruplexes. Chemistry (Weinheim an der Bergstrasse, Germany) 22 (31) (2016)
Jörn Nitsch, Lando P Wolters, Célia Fonseca Guerra, Friedrich Matthias Bickelhaupt, Andreas Steffen
Enhanced π-Back-Donation as a Way to Higher Coordination Numbers in d10 [M(NHC)n ] Complexes: A DFT Study. Chemistry (Weinheim an der Bergstrasse, Germany) 23 (3) (2016)

Célia Fonseca Guerra.css-eqlu8i{font-size:small;padding-left:4px;} (C Fonseca Guerra)

Publication Activity (10 Years)

Top Topics

Top Venues

Célia Fonseca Guerra (C Fonseca Guerra)