Publications

Fast filter by year:

More filters

Results: 873

Ferran Feixas, Eduard Matito, Jordi Poater, Miquel Solà
On the performance of some aromaticity indices: A critical assessment using a test set
J. Comput. Chem., 2008, 29, 1543-1554
DOI: 10.1002/jcc.20914

J. Oscar C. Jiménez-Halla, Juvencio Robles, Miquel Solà
Coordination and Haptotropic Migration of Cr(CO)3 in Polycyclic Aromatic Hydrocarbons: The Effect of the Size and the Curvature of the Substrate
J. Phys. Chem. A, 2008, 112, 1202-1213
DOI: 10.1021/jp077553h

Ferran Feixas, Eduard Matito, Miquel Solà, Jordi Poater
Analysis of Hückels [4n + 2] Rule through Electronic Delocalization Measures
J. Phys. Chem. A, 2008, 112, 13231-13238
DOI: 10.1021/jp803745f

Mireia Güell, Josep M. Luis, Miquel Solà, Marcel Swart
Importance of the Basis Set for the Spin-State Energetics of Iron Complexes
J. Phys. Chem. A, 2008, 112, 6384-6391
DOI: 10.1021/jp803441m
OpenAccess: –
Keywords: Spin states

J. Oscar C. Jiménez-Halla, Juvencio Robles, Miquel Solà
Coordination and Haptotropic Migration of Cr(CO)
J. Phys. Chem. A, 2008, 112, 7310-7310
DOI: 10.1021/jp805507t

Martín Félix, Alexander A. Voityuk
Parameters For Excess Electron Transfer in DNA. Estimation Using Unoccupied Kohn−Sham Orbitals and TD DFT
J. Phys. Chem. A, 2008, 112, 9043-9049
DOI: 10.1021/jp803636x

Khatcharin Siriwong, Alexander A. Voityuk
π Stack Structure and Hole Transfer Couplings in DNA Hairpins and DNA. A Combined QM/MD Study
J. Phys. Chem. B, 2008, 112, 8181-8187
DOI: 10.1021/jp802222e

Till von Feilitzsch, Jennifer Tuma, Heike Neubauer, Laurent Verdier, Reinhard Haselsberger, Reiner Feick, Gagik G. Gurzadyan, Alexander A. Voityuk, Christian Griesinger, Maria E. Michel-Beyerle
Chromophore/DNA Interactions:  Femto- to Nanosecond Spectroscopy, NMR Structure, and Electron Transfer Theory
J. Phys. Chem. B, 2008, 112, 973-989
DOI: 10.1021/jp076405o

Alexander A. Voityuk, Miquel Duran
Buckycatcher. A New Opportunity for Charge-Transfer Mediation?
J. Phys. Chem. C, 2008, 112, 1672-1678
DOI: 10.1021/jp075209e

Samat Tussupbayev, Sergei F. Vyboishchikov
Computational Study of the C−H Bond Activation in Ethylene on a Binuclear Ruthenium Complex
Organometallics, 2008, 27, 3681-3692
DOI: 10.1021/om7012309

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


  

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):