Chemistry
Listando 16 trabajos del autor/autora 38
Lista de trabajos en el área Chemistry
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Article
An Unprecedented Stimuli-Controlled Single-Crystal Reversible Phase Transition of a Metal-Organic Framework and Its Application to a Novel Method of Guest Encapsulation
Tan, Fangchang; Lopez-Periago, Ana; Light, Mark E.; Cirera, Jordi; Ruiz, Eliseo; Borras, Alejandro; Teixidor, Francesc; Vinas, Clara; Domingo, Concepcion; Giner Planas, Jose
ADVANCED MATERIALS
0935-9648 (2018)
DOI /
10.1002/adma.201800726
Green accepted
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42
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Article
Piano-Stool Ruthenium(II) Complexes with Delayed Cytotoxic Activity: Origin of the Lag Time
Rafols, Laia; Josa, Dana; Aguila, David; Barrios, Leoni A.; Roubeau, Olivier; Cirera, Jordi; Soto-Cerrato, Vanessa; Perez-Tomas, Ricardo; Martinez, Manuel; Grabulosa, Arnald; Gamez, Patrick
INORGANIC CHEMISTRY
0020-1669 (2021)
DOI /
10.1021/acs.inorgchem.1c00507
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34
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Spin-Crossover Properties of an Iron(II) Coordination Nanohoop
Ojea, Maria Jose Heras; Van Raden, Jeff M.; Louie, Shayan; Collins, Richard; Pividori, Daniel; Cirera, Jordi; Meyer, Karsten; Jasti, Ramesh; Layfield, Richard A.
ANGEWANDTE CHEMIE-INTERNATIONAL EDITION
1433-7851 (2020)
DOI /
10.1002/anie.202013374
Bronze
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19
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Article
Benchmarking Density Functional Methods for Calculation of State Energies of First Row Spin-Crossover Molecules
Cirera, Jordi; Via-Nadal, Mireia; Ruiz, Eliseo
INORGANIC CHEMISTRY
0020-1669 (2018)
DOI /
10.1021/acs.inorgchem.8b01821
Green accepted
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18
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Controlling the spin-crossover behavior of the [Cr(indenyl)(2)] family via ligand functionalization
Navarro, Laia; Rodriguez, Fileto; Cirera, Jordi
DALTON TRANSACTIONS
1477-9226 (2021)
DOI /
10.1039/d1dt00481f
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23
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Electronic Control of Spin-Crossover Properties in Four-Coordinate Bis(formazanate) Iron(II) Complexes
Milocco, Francesca; de Vries, Folkert; Bartels, Imke M. A.; Havenith, Remco W. A.; Cirera, Jordi; Demeshko, Serhiy; Meyer, Franc; Otten, Edwin
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY
0002-7863 (2020)
DOI /
10.1021/jacs.0c10010
Green published, Gold other
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12
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Thermal spin crossover in Fe(ii) and Fe(iii). Accurate spin state energetics at the solid state
Vela, Sergi; Fumanal, Maria; Cirera, Jordi; Ribas-Arino, Jordi
PHYSICAL CHEMISTRY CHEMICAL PHYSICS
1463-9076 (2020)
DOI /
10.1039/d0cp00162g
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13
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Computational assessment on the Tolman cone angles for P-ligands
Jover, Jesus; Cirera, Jordi
DALTON TRANSACTIONS
1477-9226 (2019)
DOI /
10.1039/c9dt02876e
Green accepted
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11
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Assessment of the SCAN Functional for Spin-State Energies in Spin-Crossover Systems
Cirera, Jordi; Ruiz, Eliseo
JOURNAL OF PHYSICAL CHEMISTRY A
1089-5639 (2020)
DOI /
10.1021/acs.jpca.0c03758
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9
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Accurate calculation of spin-state energy gaps in Fe(iii) spin-crossover systems using density functional methods
Vidal, Daniel; Cirera, Jordi; Ribas-Arino, Jordi
DALTON TRANSACTIONS
1477-9226 (2021)
DOI /
10.1039/d1dt03335b
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7
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Electronic and Steric Control of the Spin-Crossover Behavior in [(Cp-R)(2)Mn] Manganocenes
Cirera, Jordi; Ruiz, Eliseo
INORGANIC CHEMISTRY
0020-1669 (2018)
DOI /
10.1021/acs.inorgchem.7b02592
Green accepted
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6
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Article
Microwave assisted synthesis of heterometallic 3d-4f M(4)Ln complexes
Rosado Piquer, L.; Dey, S.; Castilla-Amoros, L.; Teat, S. J.; Cirera, J.; Rajaraman, G.; Sanudo, E. C.
DALTON TRANSACTIONS
1477-9226 (2019)
DOI /
10.1039/c9dt02567g
Green accepted
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6
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[Co/Fe(alpha-Alkyl-tpdt)(2)](x-): Alkyl-Substituted Cobalt and Iron Bis-dithiolenethiophenic Complexes
Silva, Rafaela A. L.; Santos, Rodrigo; Andrade, Marta M.; Santos, Isabel C.; Coutinho, Joana T.; Pereira, Laura C. J.; Waerenborgh, Joao C.; Vieira, Bruno J. C.; Cirera, Jordi; Ruiz, Eliseo; Almeida, Manuel; Belo, Dulce
INORGANIC CHEMISTRY
0020-1669 (2020)
DOI /
10.1021/acs.inorgchem.0c01154
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3
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Coordination control of a semicarbazide Schiff base ligand for spontaneous aggregation of a Ni(2)Ln(2) cubane family: influence of ligand arms and carboxylate bridges on the organization of the magnetic core
Biswas, Mousumi; Sanudo, E. Carolina; Cirera, Jordi; Ray, Debashis
NEW JOURNAL OF CHEMISTRY
1144-0546 (2020)
DOI /
10.1039/c9nj05686f
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1
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Article
Mercurophilic interactions: a theoretical study on the importance of ligands
Echeverria, Jorge; Cirera, Jordi; Alvarez, Santiago
PHYSICAL CHEMISTRY CHEMICAL PHYSICS
1463-9076 (2017)
DOI /
10.1039/c7cp00542c
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2
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Editorial Material
Computational Modeling of Transition Temperatures in Spin-Crossover Systems
Cirera, Jordi; Ruiz, Eliseo
COMMENTS ON INORGANIC CHEMISTRY
0260-3594 (2019)
DOI /
10.1080/02603594.2019.1608967
