14 results on '"Sablon, Nick"'
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2. Relativistic effects on the Fukui function
3. Computing Fukui functions without differentiating with respect to electron number. II. Calculation of condensed molecular Fukui functions.
4. Establishment of a Kinetic Model for the Intramolecular Catalyzed Hydrolysis of [18 F]- Benzylfluoride Containing Amino Acid Analoques by Linking Experimental and DFT Studies
5. Establishment of a kinetic model for the intramolecular catalyzed hydrolysis of [18F]‐benzylfluoride containing amino acid analogues by linking experimental and DFT studies
6. The linear response kernel of conceptual DFT as a measure of aromaticity
7. Computing Second-Order Functional Derivatives with Respect to the External Potential
8. The Linear Response Kernel: Inductive and Resonance Effects Quantified
9. Molecular Orbital-Averaged Fukui Function for the Reactivity Description of Alkaline Earth Metal Oxide Clusters
10. Calculation of Fukui Functions Without Differentiating to the Number of Electrons. 3. Local Fukui Function and Dual Descriptor
11. Calculation of negative electron affinity and aqueous anion hardness using Kohn–Sham HOMO and LUMO energies
12. On the position of the potential wall in DFT temporary anion calculations
13. Establishment of a kinetic model for the intramolecular catalyzed hydrolysis of [18F]-benzylfluoride containing amino acid analogues by linking experimental and DFT studies.
14. Reformulating the Woodward-Hoffmann Rules in a Conceptual Density Functional Theory Context: the Case of Sigmatropic Reactions.
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