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Results: 1422

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

Ramon Carbó-Dorca
Molecular quantum similarity measures in Minkowski metric vector semispaces
J Math Chem, 2008, 44, 628-636
DOI: 10.1007/s10910-008-9442-z
Keywords: Molecular similarity

Santiago Olivella, Albert Solé, Agustí Lledó, Yining Ji, Xavier Verdaguer, Rafael Suau, Antoni Riera
Theoretical and Experimental Studies on the Mechanism of Norbornadiene Pauson−Khand Cycloadducts Photorearrangement. Is There a Pathway on the Excited Singlet Potential Energy Surface?
J. Am. Chem. Soc., 2008, 130, 16898-16907
DOI: 10.1021/ja802666v

Albert Poater, Xavi Ribas, Antoni Llobet, Luigi Cavallo, Miquel Solà
Complete Mechanism of σ* Intramolecular Aromatic Hydroxylation through O2 Activation by a Macrocyclic Dicopper(I) Complex
J. Am. Chem. Soc., 2008, 130, 17710-17717
DOI: 10.1021/ja801913b

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