Thursday

September 1
On the Predictive Power of Reactivity Descriptors
July 20, 2022 • 0 Comment

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Electronegativity Equalization: New Tools for an Old Problem
July 20, 2022 • 0 Comment

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Generalising Conceptual DFT to Include the Effect of Strong Magnetic Fields
July 20, 2022 • 0 Comment

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Towards a Density-based Reactivity Approach in Density Functional Theory
January 17, 2022 • 0 Comment

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How Can Excited States Help to Understand the Chemical Selectivity of Molecules in their Ground State?
January 17, 2022 • 0 Comment

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DFT & Industry
January 17, 2022 • 0 Comment

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Estimating Fluorescence Quantum Yields from TD-DFT: Successes and Challenges
January 17, 2022 • 0 Comment

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Accurate Solid-State Electronic and Optical Excitations from Screened Range-Separated Hybrid Functional Theory
January 17, 2022 • 0 Comment

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Improving the Reliability of TD-DFT for Systems Driven far from their Ground State
February 24, 2017 • 0 Comment

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Understanding and Describing Excited States in Realistic Environments using Density-based Index
February 24, 2017 • 0 Comment

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