Publications

Fast filter by year:

More filters

Results: 1149

Mireia Güell, Josep M. Luis, Luís Rodríguez-Santiago, Mariona Sodupe, Miquel Solà
Structure, Bonding, and Relative Stability of the Ground and Low-Lying Electronic States of CuO
J. Phys. Chem. A, 2009, 113, 1308-1317
DOI: 10.1021/jp8031379

Monika Kobyłecka, Annapaola Migani, David Asturiol, Janusz Rak, Lluís Blancafort
Benign Decay vs. Photolysis in the Photophysics and Photochemistry of 5-Bromouracil. A Computational Study
J. Phys. Chem. A, 2009, 113, 5489-5495
DOI: 10.1021/jp811330v

Quansong Li, Annapaola Migani, Lluís Blancafort
MS-CASPT2 Assignment of the UV/Vis Absorption Spectrum of Diazoquinones Undergoing the Photoinduced Wolff Rearrangement
J. Phys. Chem. A, 2009, 113, 9413-9417
DOI: 10.1021/jp904853c

Sílvia Osuna, Josep Morera, Montserrat Cases, Keiji Morokuma, Miquel Solà
DielsAlder Reaction between Cyclopentadiene and C60: An Analysis of the Performance of the ONIOM Method for the Study of Chemical Reactivity in Fullerenes and Nanotubes
J. Phys. Chem. A, 2009, 113, 9721-9726
DOI: 10.1021/jp904294y

Alexander A. Voityuk
Can Charge Transfer in DNA Significantly Be Modulated by Varying the π Stack Conformation?
J. Phys. Chem. B, 2009, 113, 14365-14368
DOI: 10.1021/jp908603w

LLUÍS AMAT, RAMON CARBÓ-DORCA, DAVIDL. COOPER, NEILL. ALLAN, ROBERT PONEC
Structure—property relationships and momentum space quantities: Hammett σ—constants
Molecular Physics, 2009, 101, 3159-3162
DOI: 10.1080/00268970310001632499
Keywords: Molecular similarity

Samat Tussupbayev, Sergei F. Vyboishchikov
Computational Study of C−C Coupling on Diruthenium Bis(μ-vinyl) Ethylene π-Complex
Organometallics, 2009, 28, 3029-3039
DOI: 10.1021/om900196e

Alexander A. Voityuk
Stabilization of radical anion states of nucleobases in DNA
Phys. Chem. Chem. Phys., 2009, 11, 10608-10613
DOI: 10.1039/b910690a

Marc A. van Bochove, Marcel Swart, F. Matthias Bickelhaupt
Stepwise walden inversion in nucleophilic substitution at phosphorus
Phys. Chem. Chem. Phys., 2009, 11, 259-267
DOI: 10.1039/b813152j

Miquel Torrent-Sucarrat, J.M. Anglada, Josep M. Luis
Role of vibrational anharmonicity in atmospheric radical hydrogen-bonded complexes
Phys. Chem. Chem. Phys., 2009, 11, 6377-
DOI: 10.1039/b904736k
Keywords: Ab initio theory, Computational chemistry, Density Functional Theory, Spectroscopy

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):