论文信息 - Analyzing the Triple Density Molecular Quantum Similarity Measures with the INDSCAL Model - 字舞流文

Analyzing the Triple Density Molecular Quantum Similarity Measures with the INDSCAL Model

David Robert | Ramon Carbó-Dorca

[1] J. Chang,et al. Analysis of individual differences in multidimensional scaling via an n-way generalization of “Eckart-Young” decomposition , 1970 .

[2] Peter J. Rousseeuw,et al. Finding Groups in Data: An Introduction to Cluster Analysis , 1990 .

[3] Ramon Carbó-Dorca,et al. Atomic Shell Approximation: Electron Density Fitting Algorithm Restricting Coefficients to Positive Values , 1995, J. Chem. Inf. Comput. Sci..

[4] P. Löwdin. Quantum Theory of Many-Particle Systems. I. Physical Interpretations by Means of Density Matrices, Natural Spin-Orbitals, and Convergence Problems in the Method of Configurational Interaction , 1955 .

[5] R. Mcweeny,et al. On the basis of orbital theories , 1955, Proceedings of the Royal Society of London. Series A. Mathematical and Physical Sciences.

[6] Emili Besalú,et al. Triple density molecular quantum similarity measures: A general connection between theoretical calculations and experimental results , 1992 .

[7] F. C. Hartman,et al. Bifunctional Reagents. Cross-Linking of Pancreatic Ribonuclease with a Diimido Ester1 , 1966 .