Publications

Fast filter by year:

More filters

Results: 1514

F. Matthias Bickelhaupt, Miquel Solà, Paul von Raguí Schleyer
Theoretical investigation of the relative stabilities ofXSSX andX2SS isomers (X = F, Cl, H, and CH3)
J. Comput. Chem., 1995, 16, 465-477
DOI: 10.1002/jcc.540160410

Ramon Carbó-Dorca, Emili Besalú, Ll. Amat, X. Fradera
Quantum molecular similarity measures (QMSM) as a natural way leading towards a theoretical foundation of quantitative structure-properties relationships (QSPR)
J. Math. Chem., 1995, 18, 237-246
DOI: 10.1007/BF01164661

Ramon Carbó-Dorca, Emili Besalú
Definition and quantum chemical applications of nested summation symbols and logical functions: Pedagogical artificial intelligence devices for formulae writing, sequential programming and automatic parallel implementation
J. Math. Chem., 1995, 18, 37-72
DOI: 10.1007/BF01166602

Miquel Solà, Jordi Mestres, Miquel Duran
Molecular Size and Pyramidalization: Two Keys for Understanding the Reactivity of Fullerenes
J. Phys. Chem., 1995, 99, 10752-10758
DOI: 10.1021/j100027a013

Josep M. Luis, Josep Martí, Miquel Duran, José L. Andrés
Systematic study of the static electrical properties of the CO molecule: Influence of the basis set size and correlation energy
The Journal of Chemical Physics, 1995, 102, 7573-7583
DOI: 10.1063/1.469089
Keywords: Ab initio theory, Computational chemistry, Density Functional Theory, Nonlinear optical properties

Miquel Solà, José L. Andrés, Miquel Duran, Agusti Lledos, Juan Bertran
Ab initio study of the HCO3-/H2O exchange in the (NH3)3 ZnII(HCO3-) complex
Theor Chim Acta, 1995, 91, 333
DOI: 10.1007/s002140050107

Ramon Carbó, Blanca Calabuig
Molecular Quantum Similarity: Theoretical Framework, Ordering Principles, and Visualization Techniques
Adv Quantum Chem, 1994, 25, 253-313
DOI: 10.1016/S0065-3276(08)60021-0
Keywords: Molecular similarity

Miquel Solà, Jordi Mestres, Josep Martí, Miquel Duran
An AM1 study of the reactivity of buckminsterfullerene (C60) in a Diels-Alder model reaction
Chemical Physics Letters, 1994, 231, 325-330
DOI: 10.1016/0009-2614(94)01249-0

Ramon Carbó-Dorca, Emili Besalú
Definition, mathematical examples and quantum chemical applications of nested summation symbols and logical Kronecker deltas
Computers & Chemistry, 1994, 18, 117-126
DOI: 10.1016/0097-8485(94)85005-4

Emili Besalú, Ramon Carbó-Dorca
Generalized Rayleigh-Schr�dinger perturbation theory in matrix form
J Math Chem, 1994, 15, 397-406
DOI: 10.1007/BF01277573
Keywords: Molecular similarity

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 99 100 101 102 103 104 105 106 107 108 109 110 111 112 113 114 115 116 117 118 119 120 121 122 123 124 125 126 127 128 129 130 131 132 133 134 135 136 137 138 139 140 141 142 143 144 145 146 147 148 149 150 151 152


  

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):