Publications

Fast filter by year:

More filters

Results: 921

Frank H. Wallrapp, Alexander A. Voityuk, Victor Guallar, Qiang Cui
In-silico Assessment of Protein-Protein Electron Transfer. A Case Study: Cytochrome c Peroxidase – Cytochrome c
PLoS Comput Biol, 2013, 9, e1002990
DOI: 10.1371/journal.pcbi.1002990

Albert Poater, Laura Falivene, César A. Urbina-Blanco, Simone Manzini, Steven P. Nolan, Luigi Cavallo
Steric Maps to Evaluate the Role of Steric Hindrance on the IPr NHC Ligand
Procedia Computer Science, 2013, 18, 845-854
DOI: 10.1016/j.procs.2013.05.249

David Zanuy, Bruno Teixeira-Dias, Luis J. del Valle, Jordi Poater, Miquel Solà, Carlos Alemán
Examining the formation of specific interactions between poly(3,4-ethylenedioxythiophene) and nucleotide bases
RSC Adv., 2013, 3, 2639-2649
DOI: 10.1039/c2ra22640e

Marcel Swart, Sílvia Osuna, Marc Garcia-Borràs, Josep M. Luis and Miquel Solà
Regioselectividad en fullerenos, una visión computacional; Regioselectivity in fullerenes, a computational view
RSEQ, 2013, 109, 11-19
DOI: RSEQ

Ouissam El Bakouri, Martí Fernández, Sandra Brun, Anna Pla-Quintana, Anna Roglans
A simple catalytic system based on PdCl2(CH3CN)2 in water for cross-coupling reactions using diazonium salts
Tetrahedron, 2013, 69, 9761-9765
DOI: 10.1016/j.tet.2013.09.010

Albert Poater, Luigi Cavallo
Dancing multiplicity states supported by a carboxylated group in dicopper structures bonded to O2
Theor Chem Acc, 2013, 132, 1336
DOI: 10.1007/s00214-013-1336-x

Albert Poater, Luigi Cavallo
Organometallic copper I, II or III species in an intramolecular dechlorination reaction
Theor Chem Acc, 2013, 132, 1353
DOI: 10.1007/s00214-013-1353-9

Ferran Feixas, Eduard Matito, Jordi Poater, Miquel Solà
Metalloaromaticity
WIREs Comput Mol Sci, 2013, 3, 105-122
DOI: 10.1002/wcms.1115

Alexander A. Voityuk
Intermediate neglect of differential overlap for spectroscopy
WIREs. Comput. Mol. Sci., 2013, 3, 515-527
DOI: 10.1002/wcms.1141

Yuri A. Berlin, Alexander A. Voityuk, Mark A. Ratner
DNA Base Pair Stacks with High Electric Conductance: A Systematic Structural Search
ACS Nano, 2012, 6, 8216-8225
DOI: 10.1021/nn3030139

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 82 83 84 85 86 87 88 89 90 91 92 93


  

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):