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"Density Functional Theory: New Perspectives and Applications" ed. by Sajjad Haider, Adnan Haider, Salah Ud-Din Khan

Posted By: exLib
Date: 2 Feb 2024 00:00:05
"Density Functional Theory: New Perspectives and Applications" ed. by Sajjad Haider, Adnan Haider, Salah Ud-Din Khan

"Density Functional Theory: New Perspectives and Applications" ed. by Sajjad Haider, Adnan Haider, Salah Ud-Din Khan
ITexLi | 2024 | ISBN: 183768880X 9781837688807 1837688796 9781837688791 1837688818 9781837688814 | 98 pages | PDF | 7 MB

This volume presents a comprehensive overview of density functional theory (DFT), from its basics to its practical application and implementation. It also discusses the breakthroughs in the field and the complete integration of physical and chemical aspects, and examines both orbital and time-dependent functions along with their variations according to semiquantitative analysis.
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"Density Functional Theory Calculations" ed. by Sergio Ricardo De Lazaro, et al.

Posted By: exLib
Date: 13 Feb 2021 08:53:00
"Density Functional Theory Calculations" ed. by Sergio Ricardo De Lazaro, et al.

"Density Functional Theory Calculations" ed. by Sergio Ricardo De Lazaro, Luis Henrique Da Silveira Lacerda, Renan Augusto Pontes Ribeiro
ITexLi | 2021 | ISBN: 1838810838 9781838810832 183881082X 9781838810825 1838810846 9781838810849 | 91 pages | PDF | 8 MB

This book is a contribution to the fast and broad Density Functional Theory (DFT) applications of the last few years. Each chapter presents a specific subject contributing to a vision of the great potential of the quantum/DFT simulations in high pressure, chemical reactivity, ionic liquid, chemoinformatic, molecular docking, and non-equilibrium state.
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