Least squares estimation of unknown molecular properties and quantum QSPR fundamental equation

Journal of Mathematical Chemistry

Volumn 53, Issue 8, 2015, Pages 1651-1656

  Carbó Dorca, Ramon ^a,b  

^a UNIVERSITY OF GIRONA   (Spain)

^b UNIVERSIDAD TÉCNICA PARTICULAR DE LOJA   (Ecuador)

Author keywords

Collective QMP condensed distances and indices; Least squares; Quantum multimolecular polyhedra (QMP); Quantum QSPR fundamental equation

Indexed keywords

EID: 84938955086     PISSN: 02599791     EISSN: 15728897     Source Type: Journal    
DOI: 10.1007/s10910-015-0521-7     Document Type: Article

References (9)

1. R. Carbó-Dorca, Multimolecular polyhedra and QSPR. J. Math. Chem. 52, 1848–1856 (2014)
2. R. Carbó-Dorca, Quantum polyhedra, definitions, statistics and the construction of a collective quantum similarity index. J. Math. Chem. 53, 171–182 (2015)
3. R. Carbó-Dorca, Collective vectors, condensed indices and quantum similarity, IQCC Technical Report TC-2015-2. Frontiers in computational chemistry (in preparation)
4. R. Carbó-Dorca, Quantum multimolecular polyhedra, collective vectors, quantum similarity and quantum QSPR fundamental equation, IQCC Technical Report TC-2015-4
5. R. Carbó-Dorca, E. Besalú, Shells, point cloud huts, generalized scalar products, cosines and similarity tensor representations in vector semispaces. J. Math. Chem. 50, 210–219 (2012)
6. R. Carbó-Dorca, Collective euclidian distances and quantum similarity. J. Math. Chem. 51, 338–353 (2013)
7. R. Carbó-Dorca, Communications on quantum similarity (4): collective distances computed by means of similarity matrices, as generators of intrinsic ordering among quantum multimolecular polyhedra, IQCC Technical Report TC-2015-1. WIREs (submitted for publication)
8. R. Carbó-Dorca, Mathematical aspects of the LCAO MO first order density function (5): centroid shifting of MO ShF basis set, properties and applications. J. Math. Chem. 51, 289–296 (2013)
9. M. Bunge, Causality and Modern Science: Third Revised Edition (Dover, New York, 2011)