Publications

Fast filter by year:

More filters

Results: 1331

M. Torrent-Sucarrat, J. M. Anglada
On the Gas Phase Hydrogen Bond Complexes between Formic Acid and Hydroperoxyl Radical. A Theoretical Study
J. Phys. Chem. A, 2006, 110, 9718-9726
DOI: 10.1021/jp060884u

Alexander A. Voityuk
Electronic Coupling Mediated by Stacked [Thymine-Hg-Thymine] Base Pairs
J. Phys. Chem. B, 2006, 110, 21010-21013
DOI: 10.1021/jp062776d

Albert Poater, Miquel Duran, Pablo Jaque, Alejandro Toro-Labbé, Miquel Solà
Molecular Structure and Bonding of Copper Cluster Monocarbonyls CunCO (n = 1−9)
J. Phys. Chem. B, 2006, 110, 6526-6536
DOI: 10.1021/jp054690a

Eduard Matito, Jordi Poater, F. Matthias Bickelhaupt, Miquel Solà
Bonding in Methylalkalimetals (CH3M)n (M = Li, Na, K; n = 1, 4). Agreement and Divergences between AIM and ELF Analyses
J. Phys. Chem. B, 2006, 110, 7189-7198
DOI: 10.1021/jp057517n

J. Oscar C. Jiménez-Halla, Eduard Matito, Juvencio Robles, Miquel Solà
Nucleus-independent chemical shift (NICS) profiles in a series of monocyclic planar inorganic compounds
Journal of Organometallic Chemistry, 2006, 691, 4359-4366
DOI: 10.1016/j.jorganchem.2006.01.038

R. García-Domenech, J. V. de Julián-Ortiz, Emili Besalú
True prediction of lowest observed adverse effect levels
Mol Divers, 2006, 10, 159-168
DOI: 10.1007/s11030-005-9007-z

Michael J. Bearpark, Lluís Blancafort, Martin J. Paterson
Mapping the intersection space of the ground and first excited states of fulvene
Molecular Physics, 2006, 104, 1033-1038
DOI: 10.1080/00268970500418265

Lluís Blancafort, Michael J. Bearpark, Michael A. Robb
Ring puckering of cyclooctatetraene and cyclohexane is induced by pseudo-JahnTeller coupling
Molecular Physics, 2006, 104, 2007-2010
DOI: 10.1080/00268970600665427

M Noguera, L Blancafort, M Sodupe, J Bertran
Canonical Watson–Crick base pair interactions in π → π* type triplet states
Molecular Physics, 2006, 104, 925-931
DOI: 10.1080/00268970500418349
Keywords: Computational chemistry, Excited states, Photochemistry, Reaction mechanisms, Spectroscopy

Margarita Altable, Salvatore Filippone, Angel Martín-Domenech, Mireia Güell, Miquel Solà, Nazario Martín
Intramolecular Ene Reaction of 1,6-Fullerenynes: A New Synthesis of Allenes
Org. Lett., 2006, 8, 5959-5962
DOI: 10.1021/ol062353u

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 94 95 96 97 98 99 100 101 102 103 104 105 106 107 108 109 110 111 112 113 114 115 116 117 118 119 120 121 122 123 124 125 126 127 128 129 130 131 132 133 134


  

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):