Results 251 to 260 of about 239,615 (282)
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Time-Dependent Density-Functional Theory: Conceptual and Practical Aspects
Physical Review Letters, 1986, Kohl, , Dreizler
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Conceptual density functional theory and all metal aromaticity
2023Debolina Paul, Utpal Sarkar
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Conceptual Density Functional Theory under Isotropic Pressure: Towards Diatomic Molecules
2023Since its conception and development by Parr et al., the field of conceptual density functional theory has attempted to give rigid definitions to often vaguely defined chemical concepts and rationalize reactivity using the response functions of the energy with respect to its constituting variables in DFT. Global and local response functions have proven
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Reconsideration of chemical indices in conceptual density functional theory
Theoretical Chemistry Accounts, 2023openaire +1 more source
Computational predictions of energy materials using density functional theory
Nature Reviews Materials, 2016Anubhav Jain +2 more
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Functional Imaging of Cancer with Emphasis on Molecular Techniques
Ca-A Cancer Journal for Clinicians, 2007Mohamed Houseni
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Application of Nanotechnology in Cancer Therapy and Imaging
Ca-A Cancer Journal for Clinicians, 2008Dong M Shin
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