Publications

Fast filter by year:

More filters

Results: 1149

Ferran Feixas, Robert Ponec, Jiří Fiser, Jana Roithová, Detlef Schröder, Stephen D. Price
Bonding Analysis of the [C2O4]2+ Intermediate Formed in the Reaction of CO22+ with Neutral CO2
The Journal of Physical Chemistry A, 2010, 114, 6681-6688
DOI: 10.1021/jp1020559

C. Fonseca Guerra, T. van der Wijst, Jordi Poater, Marcel Swart, F. Matthias Bickelhaupt
Adenine versus guanine quartets in aqueous solution: dispersion-corrected DFT study on the differences in -stacking and hydrogen-bonding behavior
Theor Chem Acc, 2010, 125, 245-252
DOI: 10.1007/s00214-009-0634-9

Marcel Swart, Miquel Solà, F. Matthias Bickelhaupt
A new DFT functional based on spin-states and SN2 barriers
, 2009, 1504, 703-706
DOI: 10.1063/1.4771792

Ferran Feixas, Miquel Solà, Marcel Swart
Chemical bonding and aromaticity in metalloporphyrins
Can. J. Chem., 2009, 87, 1063-1073
DOI: 10.1139/V09-037

J. Oscar C. Jiménez-Halla, Miquel Solà
Dtz Benzannulation Reactions: Heteroatom and Substituent Effects in Chromium Fischer Carbene Complexes
Chem-Eur J., 2009, 15, 12503-12520
DOI: 10.1002/chem.200901359

Sílvia Osuna, Marcel Swart, Miquel Solà
Reactivity and regioselectivity of noble gas endohedral fullerenes Ng@C60 and Ng2@C60 (Ng=He-Xe)
Chem-Eur J., 2009, 15, 13111-13123
DOI: 10.1002/chem.200901224

Tushar van der Wijst, Célia Fonseca Guerra, Marcel Swart, F. Matthias Bickelhaupt, Bernhard Lippert
Rare Tautomers of 1-Methyluracil and 1-Methylthymine: Tuning Relative Stabilities through Coordination to Pt
Chem-Eur J., 2009, 15, 209-218
DOI: 10.1002/chem.200801476

Anna Company, Yan Feng, Mireia Güell, Xavi Ribas, Josep M. Luis, Lawrence Que, Miquel Costas
Olefin-Dependent Discrimination between Two Nonheme HO-FeV=O Tautomeric Species in Catalytic H2O2 Epoxidations
Chem-Eur J., 2009, 15, 3359-3362
DOI: 10.1002/chem.200802597

Anna Dachs, Anna Torrent, Anna Roglans, Teodor Parella, Sílvia Osuna, Miquel Solà
Rhodium(I)-Catalysed Intramolecular [2+2+2] Cyclotrimerisations of 15-, 20- and 25-Membered Azamacrocycles: Experimental and Theoretical Mechanistic Studies
Chem-Eur J., 2009, 15, 5289-5300
DOI: 10.1002/chem.200802548

Sílvia Osuna, Kendall N. Houk
Cycloaddition Reactions of Butadiene and 1,3-Dipoles to Curved Arenes, Fullerenes, and Nanotubes: Theoretical Evaluation of the Role of Distortion Energies on Activation Barriers
Chem. Eur. J., 2009, 15, 13219-13231
DOI: 10.1002/chem.200901761
Keywords: Cycloaddition, Density Functional Theory, Fullerenes

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


  

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):