Publications

Fast filter by year:

More filters

Results: 1149

Miquel Torrent-Sucarrat, Josep M. Luis, Miquel Duran, Miquel Solà
Are the maximum hardness and minimum polarizability principles always obeyed in nontotally symmetric vibrations?
J. Chem. Phys., 2002, 117, 10561
DOI: 10.1063/1.1517990

Miquel Torrent-Sucarrat, Miquel Solà, Miquel Duran, Josep M. Luis, Bernard Kirtman
Initial convergence of the perturbation series expansion for vibrational nonlinear optical properties
J. Chem. Phys., 2002, 116, 5363
DOI: 10.1063/1.1453953

Pedro Salvador, Miquel Duran, Xavier Fradera
A chemical Hamiltonian approach study of the basis set superposition error changes on electron densities and one- and two-center energy components
J. Chem. Phys., 2002, 116, 6443
DOI: 10.1063/1.1463439

Xavier Fradera, Miquel Solà
Electron localization and delocalization in open-shell molecules
J. Comput. Chem., 2002, 23, 1347-1356
DOI: 10.1002/jcc.10141

Ramon Carbó-Dorca
Shell Partition and Metric Semispaces: Minkowski Norms, Root Scalar Products, Distances and Cosines of Arbitrary Order
J. Math. Chem., 2002, 32, 201-223
DOI: 10.1023/A:1021250527289
Keywords: Molecular similarity

M. Mas-Torrent, R. A. Rodríguez-Mias, Miquel Solà, M. A. Molins, M. Pons, J. Vidal-Gancedo, J. Veciana, C. Rovira
Isolation and Characterization of Four Isomers of a C60 Bisadduct with a TTF Derivative. Study of Their Radical Ions
J. Org. Chem., 2002, 67, 566-575
DOI: 10.1021/jo010748f

Martin J. Paterson, Lluís Blancafort, Sarah Wilsey, Michael A. Robb
Photoinduced Electron Transfer in Squaraine Dyes:  Sensitization of Large Band Gap Semiconductors
J. Phys. Chem. A, 2002, 106, 11431-11439
DOI: 10.1021/jp026418w

Miquel Torrent-Sucarrat, Miquel Duran, Miquel Solà
Global Hardness Evaluation Using Simplified Models for the Hardness Kernel
J. Phys. Chem. A, 2002, 106, 4632-4638
DOI: 10.1021/jp013249r

Jordi Poater, Miquel Solà, Miqel Duran, Xavier Fradera
New Insights in Chemical Reactivity by Means of Electron Pairing Analysis
J. Phys. Chem. A, 2002, 106, 4794-4794
DOI: 10.1021/jp0204511

Silvia Simon, Mariona Sodupe, Juan Bertran
Isomerization versus Fragmentation of Glycine Radical Cation in Gas Phase
J. Phys. Chem. A, 2002, 106, 5697-5702
10.1021/jp020011
Keywords: Chemical bonding, Computational chemistry, Density Functional Theory

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):