Publications

More filters

Results: 1331

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

Ramon Carbó, Blanca Calabuig
Many center ao integral evaluation using cartesian exponential type orbitals (CETO’S)
Adv Quantum Chem, 1992, 24, 115-237
DOI: 10.1016/S0065-3276(08)60102-1
OpenAccess: –
Keywords: Molecular similarity

Ramon Carbó-Dorca, 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

Ramon Carbo, Blanca Calabuig
Quantum similarity measures, molecular cloud description, and structure-properties relationships
J. Chem. Inf. Model., 1992, 32, 600-606
DOI: 10.1021/ci00010a005
OpenAccess: –
Keywords: Molecular similarity

Ramon Carbó, Bianca Calabuig
Quantum molecular similarity measures and the n-dimensional representation of a molecular set: phenyldimethylthiazines
Journal of Molecular Structure: THEOCHEM, 1992, 254, 517-531
DOI: 10.1016/0166-1280(92)80094-3
OpenAccess: –
Keywords: Molecular similarity

Ramon Carbó, Blanca Calabuig, Emili Besalú, Antoni Martínez
Triple density molecular quantum similarity measures: A general connection between theoretical calculations and experimental results
Mol Eng, 1992, 2, 43-64
DOI: 10.1007/BF00999522
OpenAccess: –
Keywords: Molecular similarity

Ramon Carbó, Blanca Calabuig
Advances in Quantum Chemistry
Adv Quantum Chem, 1989, 20, 375-441
DOI: 10.1016/S0065-3276(08)60630-9
OpenAccess: –
Keywords: Molecular similarity

Ramon Carbó, Blanca Calabuig
Molsimil – 88: Molecular similarity calculations using a CNDO-like approximation
Computer Physics Communications, 1989, 55, 117-126
DOI: 10.1016/0010-4655(89)90070-2
OpenAccess: –
Keywords: Molecular similarity

Ramon Carbó, Blanca Calabuig
Ariadne-88: An ab initio monoconfigurational closed and open shell direct electronic energy calculation using elementary Jacobi rotations
Computer Physics Communications, 1989, 52, 345-354
DOI: 10.1016/0010-4655(89)90110-0
OpenAccess: –
Keywords: Molecular similarity