21 results on '"Gironès, Xavier"'
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2. Electron-electron repulsion energy as a QSAR descriptor
3. Quantum Similarity extensions to non-molecular systems: Nuclear Quantum Similarity
4. Quantum self-similarity measures as QSAR descriptors
5. Full molecular quantum similarity matrices as QSAR descriptors
6. Introduction
7. Quantum objects, density functions and molecular quantum similarity measures
8. Application of Quantum Similarity to QSAR
9. Quantum Chemical Reactivity: Beyond the Study of Small Molecules
10. Quantum-Mechanical Theory of Atoms in Molecules: A Relativistic Formulation
11. Topological Similarity of Molecules and the Consequences of the Holographic Electron Density Theorem, an Extension of the Hohenberg-Kohn Theorem
12. Dissimilarity Measures: Introducing a Novel Methodology
13. Topological Pharmacophore Description of Chemical Structures using MAB-Force-Field-Derived Data and Corresponding Similarity Measures
14. Similarity Searching In Chemical Databases Using Molecular Fields And Data Fusion
15. Database Organization and Similarity Searching with E-State Indices
16. Some Relationships between Molecular Energy-Topology and Symmetry
17. Similarity Analysis of Molecular Interaction Potential Distributions. The MIPSIM Software
18. Prediction of boiling points of organic compounds from molecular descriptors by using backpropagation neural network
19. Partitioning of Free Energies of Solvation into Fragment Contributions: Applications in Drug Design
20. Self-Organizing Molecular Field Analysis (SOMFA): A Tool for Structure-Activity Studies
21. Confronting modern valence bond theory with momentum-space quantum similarity and with pair density analysis
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