Publications

Fast filter by year:

More filters

Results: 1059

Miquel Solà, Jordi Mestres, Ramon Carbo, Miquel Duran
Use of ab Initio Quantum Molecular Similarities as an Interpretative Tool for the Study of Chemical Reactions
J. Am. Chem. Soc., 1994, 116, 5909-5915
DOI: 10.1021/ja00092a047

Miquel Solà, Jordi Mestres, Miquel Duran, Ramon Carbo
Ab Initio Quantum Molecular Similarity Measures on Metal-Substituted Carbonic Anhydrase (MIICA, M = Be, Mg, Mn, Co, Ni, Cu, Zn, and Cd)
J. Chem. Inf. Model., 1994, 34, 1047-1053
DOI: 10.1021/ci00021a003

Montserrat Ventura, Cristobal Segura, Miquel Solà
A quantum chemical AM1 study of a Diels?Alder and retro-Diels?Alder tandem reaction
J. Chem. Soc., Perkin Trans. 2, 1994, 0, 281-284
DOI: 10.1039/p29940000281

Jordi Mestres, Miquel Solà, Miquel Duran, Ramon Carbí
On the calculation ofab initio quantum molecular similarities for large systems: Fitting the electron density
J. Comput. Chem., 1994, 15, 1113-1120
DOI: 10.1002/jcc.540151007

Emili Besalí, Ramon Carbí
Generalized Rayleigh-Schrídinger perturbation theory in matrix form
J. Math. Chem., 1994, 15, 397-406
DOI: 10.1007/BF01277573

Ramon Carbí, Emili Besalí
Nested summation symbols and perturbation theory
J. Math. Chem., 1993, 13, 331-342
DOI: 10.1007/BF01165573

Marcial Moreno-Mañas, Roser Pleixats, Anna Roglans
Diels-Alder Reactions of 1,1-Disubstituted 3,4-Dimethylene-cyclopentanes. Preparation of Indanes and Diazaindanes
Synthetic Communications, 1993, 23, 601-612
DOI: 10.1080/00397919308009818

Jesús Ezquerra, Concepción Pedregal, Marcial Moreno-Mañas, Roser Pleixats, Anna Roglans
Synthesis of α-substituted and α,α-disubstituted α-amino acids by controlled mono- and dialkylation of ethyl N-diphenylmethyleneglycinate
Tetrahedron Letters, 1993, 34, 8535-8538
DOI: 10.1016/S0040-4039(00)61378-3

Ramon Carbó, Emili Besalú
AO integral evaluation using Cartesian exponential type orbitals (CETOs)
Can. J. Chem., 1992, 70, 353-361
DOI: 10.1139/v92-050

Miquel Solà, Merce Balcells, Miquel Duran, Agusti Lledos, Juan Bertran
Valence-bond calculations on ZNO and HGO using integrals computed through the semiempiricalAM1 method
Int. J. Quantum Chem., 1992, 44, 887-895
DOI: 10.1002/qua.560440516

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


  

Author search (ex: matit, swart, …)

Search on publication title:

DOI:

Newer than (year included):

Older than (year included):