Jordi Cirera

发表

Copper active sites in biology.

Li Tian, Jordi Cirera, J. Cirera, 2014, Chemical reviews.

Electronic Control of Spin-Crossover Properties in Four-Coordinate Bis(formazanate) Iron(II) Complexes

J. Cirera, R. Havenith, E. Otten, 2020, Journal of the American Chemical Society.

Solvation-Guided Design of Fluorescent Probes for Discrimination of Amyloids

C. Sigurdson, F. Paesani, J. Cirera, 2018, Scientific Reports.

Shape and spin state in four-coordinate transition-metal complexes: the case of the d(6) configuration.

S. Alvarez, J. Cirera, E. Ruiz, 2006, Chemistry.

Minimal distortion pathways in polyhedral rearrangements.

D. Avnir, S. Alvarez, J. Cirera, 2004, Journal of the American Chemical Society.

Benchmarking Density Functional Methods for Calculation of State Energies of First Row Spin-Crossover Molecules.

J. Cirera, M. Via-Nadal, E. Ruiz, 2018, Inorganic chemistry.

Theoretical prediction of spin-crossover temperatures in ligand-driven light-induced spin change systems.

F. Paesani, J. Cirera, Jordi Cirera, 2012, Inorganic chemistry.

An Unprecedented Stimuli‐Controlled Single‐Crystal Reversible Phase Transition of a Metal–Organic Framework and Its Application to a Novel Method of Guest Encapsulation

C. Domingo, F. Teixidor, C. Viňas, 2018, Advanced materials.

Stereochemistry and spin state in four-coordinate transition metal compounds.

S. Alvarez, J. Cirera, E. Ruiz, 2008, Inorganic chemistry.

Mapping the stereochemistry and symmetry of tetracoordinate transition-metal complexes.

Pere Alemany, Santiago Alvarez, Jordi Cirera, 2004, Chemistry.

The effects of electronic polarization on water adsorption in metal-organic frameworks: H2O in MIL-53(Cr).

F. Paesani, J. Cirera, Jeffrey C. Sung, 2012, The Journal of chemical physics.

Chemically crosslinked isoreticular metal-organic frameworks.

Seth M. Cohen, F. Paesani, J. Cirera, 2013, Chemical communications.

MIL-101(Fe) as a lithium-ion battery electrode material: a relaxation and intercalation mechanism during lithium insertion

Thomas A. Yersak, Seth M. Cohen, Y. Meng, 2015 .

How high the spin? Allowed and forbidden spin states in transition-metal chemistry.

S. Alvarez, J. Cirera, Jordi Cirera, 2006, Angewandte Chemie.

Computational assessment on the Tolman cone angles for P-ligands.

J. Cirera, J. Jover, Jordi Cirera, 2019, Dalton transactions.

Theoretical modeling of spin crossover in metal-organic frameworks: [Fe(pz)2Pt(CN)4] as a case study.

V. Babin, F. Paesani, J. Cirera, 2014, Inorganic chemistry.

Guest effect on spin-crossover frameworks

J. Cirera, Jordi Cirera, 2014 .

Shape maps and polyhedral interconversion paths in transition metal chemistry

David Casanova, Pere Alemany, Santiago Alvarez, 2005 .

Coordination control of a semicarbazide Schiff base ligand for spontaneous aggregation of a Ni2Ln2 cubane family: influence of ligand arms and carboxylate bridges on the organization of the magnetic core

J. Cirera, M. Biswas, E. C. Sañudo, 2020 .

Computational Modeling of Transition Temperatures in Spin-Crossover Systems

J. Cirera, E. Ruiz, Jordi Cirera, 2019, Comments on Inorganic Chemistry.

Theoretical modeling of two-step spin-crossover transitions in FeII dinuclear systems

J. Cirera, E. Ruiz, Jordi Cirera, 2015 .

Stereospinomers of pentacoordinate iron porphyrin complexes: the case of the [Fe(porphyrinato)(CN)]- anions.

S. Alvarez, J. Cirera, Jordi Cirera, 2013, Dalton transactions.

Ferromagnetic coupling in trinuclear, partial cubane Cu(II) complexes with a micro(3)-OH core: magnetostructural correlations.

Yi-zhi Li, J. Cirera, E. Ruiz, 2007, Chemistry.

Spin State and Stereochemistry

J. Cirera, Jordi Cirera, 2013 .

Continuous Shape Measures as a Stereochemical Tool in Organometallic Chemistry

S. Alvarez, J. Cirera, E. Ruiz, 2005 .

Synthesis and characterization of highly diluted polyanionic iron(II) spin crossover systems

G. Molnár, A. Bousseksou, E. Ruiz, 2023, STAR protocols.

Title Solvation-Guided Design of Fluorescent Probes for Discrimination of Amyloids Permalink

C. Sigurdson, F. Paesani, J. Cirera, 2018 .

Classical molecular interaction potentials: Improved setup procedure in molecular dynamics simulations of proteins

F. J. Luque, J L Gelpí, X. Barril, 2001, Proteins.

Non-Switching 1,2-Dithienylethene-based Diplatinum(II) Complex Showing High Cytotoxicity.

S. Teat, J. Cirera, R. Pérez-Tomás, 2016, Inorganic chemistry.

Modeling Magnetic Properties with Density Functional Theory‐Based Methods

J. Cirera, E. Ruiz, Jordi Cirera, 2016 .

Molecular Mechanisms of Spin Crossover in the {Fe(pz)[Pt(CN)4]} Metal-Organic Framework upon Water Adsorption.

F. Paesani, J. Cirera, C. H. Pham, 2016, Journal of the American Chemical Society.

Piano-Stool Ruthenium(II) Complexes with Delayed Cytotoxic Activity: Origin of the Lag Time

J. Cirera, V. Soto-Cerrato, R. Pérez-Tomás, 2021, Inorganic chemistry.

Mercurophilic interactions: a theoretical study on the importance of ligands.

J. Echeverría, S. Alvarez, J. Cirera, 2017, Physical chemistry chemical physics : PCCP.

Quantitative geometric descriptions of the belt iron atoms of the iron-molybdenum cofactor of nitrogenase and synthetic iron(II) model complexes.

Patrick L. Holland, S. Alvarez, J. Vela, 2007, Inorganic chemistry.

Spin density distribution in transition metal complexes

S. Alvarez, J. Cirera, E. Ruiz, 2005 .

Can large magnetic anisotropy and high spin really coexist?

S. Alvarez, J. Kortus, J. Cirera, 2008, Chemical communications.