Publications

Fast filter by year:

More filters

Results: 803

Marcos Gil-Sepulcre, Jordan C. Axelson, Joan Aguiló, Lluís Solà-Hernández, Laia Francàs, Albert Poater, Lluís Blancafort, Jordi Benet-Buchholz, Gonzalo Guirado, Lluís Escriche, Antoni Llobet, Roger Bofill, Xavier Sala
Synthesis and Isomeric Analysis of RuII Complexes Bearing Pentadentate Scaffolds
Inorg. Chem. , 2016, 55, 11216-11229
DOI: 10.1021/acs.inorgchem.6b01755
Keywords: Light-driven synthesis, Excited states

Oriol Planas, Christopher J. Whiteoak, Vlad Martin-Diaconescu, Ilaria Gamba, Josep M. Luis, Teodor Parella, Anna Company, Xavi Ribas
Isolation of Key Organometallic Aryl-Co(III) Intermediates in Co-Catalyzed C(sp2)-H Functionalizations and New Insights into Alkyne Annulation Reaction Mechanisms
J. Am. Chem. Soc., 2016, 138, 14388–14397
DOI: 10.1021/jacs.6b08593

David Lauvergnat, Josep M. Luis, Bernard Kirtman, Heribert Reis, André Nauts
Numerical and exact kinetic energy operator using Eckart conditions with one or several reference geometries: Application to HONO
J. Chem. Phys., 2016, 144, 084116
DOI: 10.1063/1.4942172

Sergei F. Vyboishchikov
Correlation energy, correlated electron density, and exchange-correlation potential in some spherically confined atoms
J. Comp. Chem., 2016, 37, 2677-2686
DOI: 10.1002/jcc.24493

Majid El-Hamdi, Miquel Solà, Jordi Poater, Alexey Y. Timoshkin
Complexes of adamantane-based group 13 Lewis acids and superacids: Bonding analysis and thermodynamics of hydrogen splitting
J. Comput. Chem., 2016, 37, 1355-1362
DOI: 10.1002/jcc.24328

JuanPablo Martínez, Miquel Solà, Alexander A. Voityuk
Theoretical estimation of the rate of photoinduced charge transfer reactions in triphenylamine C60 donor-acceptor conjugate
J. Comput. Chem., 2016, 37, 1396-1405
DOI: 10.1002/jcc.24355

Alexander A. Voityuk, Miquel Solà
Photoinduced Charge Separation in the Carbon Nano-Onion C60 @C240
J. Phys. Chem. A, 2016, 120, 5798-5804
DOI: 10.1021/acs.jpca.6b04127

Juan Pablo Martínez, Fernando Langa, F. Matthias Bickelhaupt, Sílvia Osuna, Miquel Solà
(4 + 2) and (2 + 2) Cycloadditions of Benzyne to C60 and Zig-Zag Single-Walled Carbon Nanotubes: The Effect of the Curvature
J. Phys. Chem. C, 2016, 120, 1716-1726
DOI: 10.1021/acs.jpcc.5b11499

Mauricio Rodríguez-Mayorga, Eloy Ramos-Cordoba, Pedro Salvador, Miquel Solà, Eduard Matito
Bonding description of the Harpoon mechanism
Molecular Physics, 2016, 114, 1345-1355
DOI: 10.1080/00268976.2015.1121297

Albert Poater
Moving from Classical Ru-NHC to Neutral or Charged Rh-NHC Based Catalysts in Olefin Metathesis
Molecules, 2016, 21, 177- 187
DOI: 10.3390/molecules21020177

NextPrevious

1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 50 51 52 53 54 55 56 57 58 59 60 61 62 63 64 65 66 67 68 69 70 71 72 73 74 75 76 77 78 79 80 81


  

Author search:
You can use AND or OR (case sensitive), but not mixed.
Example: (author1 AND author2 AND authorN) or (author1 OR author2 OR authorN).

Search on publication title:

DOI:

Keyword:

Newer than (year included):

Older than (year included):