Chemistry
Listando 31 trabajos del autor/autora 38
Lista de trabajos en el área Chemistry
Mentions
40
Twitter
0
Wikipedia
1
News
0
Policy
Article
A Unified Electro- and Photocatalytic CO2 to CO Reduction Mechanism with Aminopyridine Cobalt Complexes
Fernandez, Sergio; Franco, Federico; Casadevall, Carla; Martin-Diaconescu, Vlad; Luis, Josep M.; Lloret-Fillol, Julio
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY
0002-7863 (2020)
DOI /
10.1021/jacs.9b06633
Green accepted
Mentions
50
Twitter
0
Wikipedia
0
News
0
Policy
Article
A new tuned range-separated density functional for the accurate calculation of second hyperpolarizabilities
Besalu-Sala, Pau; Sitkiewicz, Sebastian P.; Salvador, Pedro; Matito, Eduard; Luis, Josep M.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS
1463-9076 (2020)
DOI /
10.1039/d0cp01291b
Green accepted
Mentions
29
Twitter
0
Wikipedia
0
News
0
Policy
Article
Chemodivergent Nickel(0)-Catalyzed Arene C-F Activation with Alkynes: Uriprecedented C-F/C-H Double Insertion
Capdevila, Lorena; Meyer, Tjark H.; Roldan-Gomez, Steven; Luis, Josep M.; Ackerrnann, Lutz; Ribas, Xavi
ACS CATALYSIS
2155-5435 (2019)
DOI /
10.1021/acscatal.9b03620
Green accepted
Mentions
27
Twitter
0
Wikipedia
0
News
0
Policy
Article
Well-Defined Aryl-Fe-II Complexes in Cross-Coupling and C-H Activation Processes
Magallon, Carla; Planas, Oriol; Roldan-Gomez, Steven; Luis, Josep M.; Company, Anna; Ribas, Xavi
ORGANOMETALLICS
0276-7333 (2021)
DOI /
10.1021/acs.organomet.1c00100
Mentions
10
Twitter
0
Wikipedia
1
News
0
Policy
Article
Acid-Triggered O-O Bond Heterolysis of a Nonheme Fe-III(OOH) Species for the Stereospecific Hydroxylation of Strong C-H Bonds
Serrano-Plana, Joan; Acuna-Pares, Ferran; Dantignana, Valeria; Oloo, Williamson N.; Castillo, Esther; Draksharapu, Apparao; Whiteoak, Christopher J.; Martin-Diaconescu, Vlad; Basallote, Manuel G.; Luis, Josep M.; Que, Lawrence, Jr.; Costas, Miquel; Company
CHEMISTRY-A EUROPEAN JOURNAL
0947-6539 (2018)
DOI /
10.1002/chem.201704851
Bronze, Green accepted
Mentions
26
Twitter
0
Wikipedia
0
News
0
Policy
Article
How Many Electrons Does a Molecular Electride Hold?
Sitkiewicz, Sebastian P.; Ramos-Cordoba, Eloy; Luis, Josep M.; Matito, Eduard
JOURNAL OF PHYSICAL CHEMISTRY A
1089-5639 (2021)
DOI /
10.1021/acs.jpca.1c02760
Mentions
20
Twitter
0
Wikipedia
0
News
0
Policy
Article
Fast and Simple Evaluation of the Catalysis and Selectivity Induced by External Electric Fields
Besalu-Sala, Pau; Sola, Miquel; Luis, Josep M.; Torrent-Sucarrat, Miquel
ACS CATALYSIS
(2021)
DOI /
10.1021/acscatal.1c04247
Mentions
20
Twitter
0
Wikipedia
0
News
0
Policy
Article
Design of Iron Coordination Complexes as Highly Active Homogenous Water Oxidation Catalysts by Deuteration of Oxidation-Sensitive Sites
Codola, Zoel; Gamba, Ilaria; Acuna-Pares, Ferran; Casadevall, Carla; Clemancey, Martin; Latour, Jean-Marc; Luis, Josep M.; Lloret-Fillol, Julio; Costas, Miguel
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY
0002-7863 (2019)
DOI /
10.1021/jacs.8b10211
Green accepted
Mentions
21
Twitter
0
Wikipedia
0
News
0
Policy
Article
Mechanistic insights into the S(N)2-type reactivity of aryl-Co(III) masked-carbenes for C-C bond forming transformations
Planas, O.; Roldan-Gomez, S.; Martin-Diaconescu, V.; Luis, J. M.; Company, A.; Ribas, X.
CHEMICAL SCIENCE
2041-6520 (2018)
DOI /
10.1039/c8sc00851e
Gold, Green published
Mentions
14
Twitter
0
Wikipedia
0
News
0
Policy
Article
Origin-Independent Decomposition of the Static Polarizability
Montilla, Marc; Luis, Josep M.; Salvador, Pedro
JOURNAL OF CHEMICAL THEORY AND COMPUTATION
1549-9618 (2021)
DOI /
10.1021/acs.jctc.0c00926
Mentions
14
Twitter
0
Wikipedia
0
News
0
Policy
Article
Understanding light-driven H-2 evolution through the electronic tuning of aminopyridine cobalt complexes
Call, Arnau; Franco, Federico; Kandoth, Noufal; Fernandez, Sergio; Gonzalez-Bejar, Maria; Perez-Prieto, Julia; Luis, Josep M.; Lloret-Fillol, Julio
CHEMICAL SCIENCE
2041-6520 (2018)
DOI /
10.1039/c7sc04328g
Green submitted, Green published, Gold
Mentions
15
Twitter
0
Wikipedia
0
News
0
Policy
Article
Mechanistic Insights into the ortho-Defluorination-Hydroxylation of 2-Halophenolates Promoted by a Bis(mu-oxo)dicopper(III) Complex
Besalu-Sala, Pau; Magallon, Carla; Costas, Miquel; Company, Anna; Luis, Josep M.
INORGANIC CHEMISTRY
0020-1669 (2020)
DOI /
10.1021/acs.inorgchem.0c02246
Mentions
18
Twitter
0
Wikipedia
0
News
0
Policy
Article
Partition of optical properties into orbital contributions
Sitkiewicz, Sebastian P.; Rodriguez-Mayorga, Mauricio; Luis, Josep M.; Matito, Eduard
PHYSICAL CHEMISTRY CHEMICAL PHYSICS
1463-9076 (2019)
DOI /
10.1039/c9cp02662b
Green accepted, Green submitted
Mentions
18
Twitter
0
Wikipedia
0
News
0
Policy
Article
Bingel-Hirsch Addition of Diethyl Bromomalonate to Ion-Encapsulated Fullerenes M@C-60(M=o, Li+, Na+, K+, Mg2+, Ca2+, and Cl-)
Besalu-Sala, Pau; Luis, Josep M.; Sola, Miquel
CHEMISTRY-A EUROPEAN JOURNAL
0947-6539 (2020)
DOI /
10.1002/chem.202003208
Mentions
14
Twitter
0
Wikipedia
0
News
0
Policy
Article
An Objective Alternative to IUPAC's Approach To Assign Oxidation States
Postils, Veronica; Delgado-Alonso, Carlos; Luis, Josep M.; Salvador, Pedro
ANGEWANDTE CHEMIE-INTERNATIONAL EDITION
1433-7851 (2018)
DOI /
10.1002/anie.201802745
Green accepted
Mentions
27
Twitter
0
Wikipedia
0
News
0
Policy
Article
The Dual Effect of Coordinating -NH Groups and Light in the Electrochemical CO2 Reduction with Pyridylamino Co Complexes
Fernandez, Sergio; Canellas, Santiago; Franco, Federico; Luis, Josep M.; Pericas, Miquel A.; Lloret-Fillol, Julio
CHEMELECTROCHEM
2196-0216 (2021)
DOI /
10.1002/celc.202100859
Mentions
13
Twitter
0
Wikipedia
0
News
0
Policy
Article
Metal Cluster Electrides: A New Type of Molecular Electride with Delocalised Polyattractor Character
El Bakouri, Ouissam; Postils, Veronica; Garcia-Borras, Marc; Duran, Miquel; Luis, Josep M.; Calvello, Simone; Soncini, Alessandro; Matito, Eduard; Feixas, Ferran; Sola, Miquel
CHEMISTRY-A EUROPEAN JOURNAL
0947-6539 (2018)
DOI /
10.1002/chem.201800878
Green accepted, Green published
Mentions
8
Twitter
0
Wikipedia
0
News
0
Policy
Article
Mechanism of the Selective Fe-Catalyzed Arene Carbon-Hydrogen Bond Functionalization
Postils, Veronica; Rodriguez, Monica; Sabenya, Gerard; Conde, Ana; Mar Diaz-Requejo, M.; Perez, Pedro J.; Costas, Miguel; Sola, Miguel; Luis, Josep M.
ACS CATALYSIS
2155-5435 (2018)
DOI /
10.1021/acscatal.7b03935
Green accepted, Green submitted
Mentions
8
Twitter
0
Wikipedia
0
News
0
Policy
Article
Carboxylate-Assisted Formation of Aryl-Co(III) Masked-Carbenes in Cobalt-Catalyzed C-H Functionalization with Diazo Esters
Planas, Oriol; Roldan-Gomez, Steven; Martin-Diaconescu, Vlad; Parella, Teodor; Luis, Josep M.; Company, Anna; Ribas, Xavi
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY
0002-7863 (2017)
DOI /
10.1021/jacs.7b07880
Green accepted
Mentions
8
Twitter
0
Wikipedia
0
News
0
Policy
Article
Evaluation of charge-transfer rates in fullerene-based donor-acceptor dyads with different density functional approximations
Besalu-Sala, Pau; Voityuk, Alexander A.; Luis, Josep M.; Sola, Miquel
PHYSICAL CHEMISTRY CHEMICAL PHYSICS
1463-9076 (2021)
DOI /
10.1039/d0cp06510b
Mentions
7
Twitter
0
Wikipedia
0
News
0
Policy
Article
Partitioning of interaction-induced nonlinear optical properties of molecular complexes. II. Halogen-bonded systems
Medved', Miroslav; Iglesias-Reguant, Alex; Reis, Heribert; Gora, Robert W.; Luis, Josep M.; Zalesny, Robert
PHYSICAL CHEMISTRY CHEMICAL PHYSICS
1463-9076 (2020)
DOI /
10.1039/c9cp06620a
Green accepted
Mentions
10
Twitter
0
Wikipedia
0
News
0
Policy
Review
The key role of aromaticity in the structure and reactivity of C-60 and endohedral metallofullerenes
Garcia-Borras, Marc; Luis, Josep M.; Sola, Miquel; Osuna, Silvia
INORGANICA CHIMICA ACTA
0020-1693 (2017)
DOI /
10.1016/j.ica.2017.07.044
Green accepted
Mentions
9
Twitter
0
Wikipedia
0
News
0
Policy
Article
Controlling Two-Photon Action Cross Section by Changing a Single Heteroatom Position in Fluorescent Dyes
Osmialowski, Borys; Petrusevich, Elizaveta F.; Antoniak, Magda A.; Grela, Izabela; Bin Jassar, Mohammed A.; Nyk, Marcin; Luis, Josep M.; Jedrzejewska, Beata; Zalesny, Robert; Jacquemin, Denis
JOURNAL OF PHYSICAL CHEMISTRY LETTERS
1948-7185 (2020)
DOI /
10.1021/acs.jpclett.0c01438
Hybrid, Green published
Mentions
7
Twitter
0
Wikipedia
0
News
0
Policy
Article
Trifluoromethylation of a Well-Defined Square-Planar Aryl-Ni-II Complex involving Ni-III/CF3 center dot and Ni-IV-CF3 Intermediate Species
Rovira, Mireia; Roldan-Gomez, Steven; Martin-Diaconescu, Vlad; Whiteoak, Christopher J.; Company, Anna; Luis, Josep M.; Ribas, Xavi
CHEMISTRY-A EUROPEAN JOURNAL
0947-6539 (2017)
DOI /
10.1002/chem.201702168
Green accepted
Mentions
8
Twitter
0
Wikipedia
0
News
0
Policy
Article
Can Density Functional Theory Be Trusted for High-Order Electric Properties? The Case of Hydrogen-Bonded Complexes
Zalesny, Robert; Medved, Miroslav; Sitkiewicz, Sebastian P.; Matito, Eduard; Luis, Josep M.
JOURNAL OF CHEMICAL THEORY AND COMPUTATION
1549-9618 (2019)
DOI /
10.1021/acs.jctc.9b00139
Mentions
9
Twitter
0
Wikipedia
0
News
0
Policy
Article
Rationalizing the relative abundances of trimetallic nitride template-based endohedral metallofullerenes from aromaticity measures
Garcia-Borras, M.; Osuna, S.; Luis, J. M.; Sola, M.
CHEMICAL COMMUNICATIONS
1359-7345 (2017)
DOI /
10.1039/c7cc01750b
Green published, Hybrid
Mentions
4
Twitter
0
Wikipedia
0
News
0
Policy
Article
Quantum Mechanics/Molecular Mechanics Studies on the Relative Reactivities of Compound I and II in Cytochrome P450 Enzymes
Postils, Veronica; Saint-Andre, Maud; Timmins, Amy; Li, Xiao-Xi; Wang, Yong; Luis, Josep M.; Sola, Miquel; de Visser, Sam P.
INTERNATIONAL JOURNAL OF MOLECULAR SCIENCES
1661-6596 (2018)
DOI /
10.3390/ijms19071974
Green published, Green submitted, Gold
Mentions
1
Twitter
0
Wikipedia
0
News
0
Policy
Article
Efficient External Electric Field Manipulated Nonlinear Optical Switches of All-Metal Electride Molecules with Infrared Transparency: Nonbonding Electron Transfer Forms an Excess Electron Lone Pair
He, Hui-Min; Li, Ying; Yang, Hui; Yu, Dan; Li, Si-Yi; Wu, Di; Hou, Jian-Hua; Zhong, Rong-Lin; Zhou, Zhong-jun; Gu, Feng-long; Luis, Josep M.; Li, Zhi-Ru
JOURNAL OF PHYSICAL CHEMISTRY C
1932-7447 (2017)
DOI /
10.1021/acs.jpcc.6b11919
Green accepted
Mentions
1
Twitter
0
Wikipedia
0
News
0
Policy
Article
Relevance of the DFT method to study expanded porphyrins with different topologies
Torrent-Sucarrat, Miquel; Navarro, Sara; Cossio, Fernando P.; Anglada, Josep M.; Luis, Josep M.
JOURNAL OF COMPUTATIONAL CHEMISTRY
0192-8651 (2017)
DOI /
10.1002/jcc.25074
Green accepted
Mentions
1
Twitter
0
Wikipedia
0
News
0
Policy
Article
A Cu-I/Cu-III prototypical organometallic mechanism for the deactivation of an active pincer-like Cu-I catalyst in Ullmann-type couplings
Rovira, Mireia; Jasikova, Lucie; Andris, Erik; Acuna-Pares, Ferran; Soler, Marta; Guell, Imma; Wang, Ming-Zheng; Gomez, Laura; Luis, Josep M.; Roithova, Jana; Ribas, Xavi
CHEMICAL COMMUNICATIONS
1359-7345 (2017)
DOI /
10.1039/c7cc04491g
Gold other, Green published
Mentions
0
Twitter
0
Wikipedia
0
News
0
Policy
Article
Design of Huckel-Mobius Topological Switches with High Nonlinear Optical Properties
Torrent-Sucarrat, Miquel; Navarro, Sara; Marcos, Enrique; Anglada, Josep M.; Luis, Josep M.
JOURNAL OF PHYSICAL CHEMISTRY C
1932-7447 (2017)
DOI /
10.1021/acs.jpcc.7b05900
Green accepted
