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Results: 1524

Ana Gallegos Saliner, Albert Poater, Andrew P. Worth
Toward in silico approaches for investigating the activity of nanoparticles in therapeutic development
IDrugs, 2008, 11, 728-732
DOI: No DOI available
Keywords: Chemical bonding, Computational chemistry, Density Functional Theory

Xavier Sala, Albert Poater, Alexander von Zelewsky, Teodor Parella, Xavier Fontrodona, Isabel Romero, Miquel Solà, Montserrat Rodríguez, Antoni Llobet
New Ruthenium(II) Complexes with Enantiomerically Pure Bis- and Tris(pinene)-Fused Tridentate Ligands. Synthesis, Characterization and Stereoisomeric Analysis
Inorg. Chem., 2008, 47, 8016-8024
DOI: 10.1021/ic800252f

Ramon Carbó-Dorca, Sofie Van Damme
A new insight on the quantum quantitative structure-properties relationships
Int. J. Quantum Chem., 2008, 108, 1721-1734
DOI: 10.1002/qua.21703
Keywords: Molecular similarity

Ramon Carbó-Dorca, Patrick Bultinck
Mathematical aspects of the LCAO MO first order density function (3): A general localization procedure
J Math Chem, 2008, 43, 1069-1075
DOI: 10.1007/s10910-007-9242-x
Keywords: Molecular similarity

Ramon Carbó-Dorca
Mathematical aspects of the LCAO MO first order density function (1): atomic partition, metric structure and practical applications
J Math Chem, 2008, 43, 1076-1101
DOI: 10.1007/s10910-007-9244-8
Keywords: Molecular similarity

Ramon Carbó-Dorca
Mathematical aspects of the LCAO MO first order density function (2): Relationships between density functions
J Math Chem, 2008, 43, 1102-1118
DOI: 10.1007/s10910-007-9245-7
Keywords: Molecular similarity

Ramon Carbó-Dorca
A quantum similarity matrix (QSM) Aufbau procedure
J Math Chem, 2008, 44, 228-234
DOI: 10.1007/s10910-007-9305-z
Keywords: Molecular similarity

Ramon Carbó-Dorca
Riemannian three dimensional molecular spaces
J Math Chem, 2008, 44, 286-300
DOI: 10.1007/s10910-007-9315-x
Keywords: Molecular similarity

Ramon Carbó-Dorca
Smooth function topological structure descriptors based on graph-spectra
J Math Chem, 2008, 44, 373-378
DOI: 10.1007/s10910-007-9314-y
Keywords: Molecular similarity

Ramon Carbó-Dorca
Diagonal coefficient representation of density functions and quantum similarity measures
J Math Chem, 2008, 44, 621-627
DOI: 10.1007/s10910-008-9441-0
Keywords: Molecular similarity