Results: 164
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/BF00999522Keywords: Molecular similarity
Ramon Carbó, Blanca Calabuig
Advances in Quantum Chemistry
Adv Quantum Chem, 1989, 20, 375-441
DOI: 10.1016/S0065-3276(08)60630-9Keywords: 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)90070-2Keywords: 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)90110-0Keywords: Molecular similarity