LEADER 03452nam 22004813 450 001 9910877098203321 005 20240321080236.0 010 $a1-119-90131-6 010 $a1-119-90130-8 035 $a(MiAaPQ)EBC31214515 035 $a(Au-PeEL)EBL31214515 035 $a(CKB)30967957100041 035 $a(Exl-AI)31214515 035 $a(EXLCZ)9930967957100041 100 $a20240321d2024 uy 0 101 0 $aeng 135 $aurcnu|||||||| 181 $ctxt$2rdacontent 182 $cc$2rdamedia 183 $acr$2rdacarrier 200 10$aElectrocatalytic Materials for Renewable Energy 205 $a1st ed. 210 1$aNewark :$cJohn Wiley & Sons, Incorporated,$d2024. 210 4$dİ2024. 215 $a1 online resource (419 pages) 311 $a1-119-90105-7 327 $aCover -- Title Page -- Copyright Page -- Contents -- Preface -- Chapter 1 An Introduction to the Exploration of the Electronic Structure Properties of Biologically Active Natural Compounds Using Quantum Chemical Methods -- 1.1 Natural Compounds: Past, Present, and Future -- 1.2 Theoretical Framework for Quantum Chemical Calculations -- 1.2.1 Ab-Initio Methods -- 1.2.1.1 Hartree?Fock (HF) Theory -- 1.2.1.2 Moller?Plesset (MP) Perturbation Theory -- 1.2.1.3 Configuration Interaction (CI) Method -- 1.2.1.4 Coupled Cluster Method (CCM) -- 1.2.2 Semiempirical Methods -- 1.2.3 Molecular Mechanics -- 1.2.4 Molecular Dynamics -- 1.2.5 Density Functional Theory (DFT) -- 1.3 Theoretical Framework for Biological Activity -- 1.3.1 Quantitative Structure?Activity Relationship (QSAR) -- 1.3.2 Quantitative Structure?Property Relationship (QSPR) -- 1.3.3 Molecular Docking -- 1.4 Future Scope -- References -- Chapter 2 Facile Synthesis of Hybrid Fe3O4/ZnO Nanosphere Composites and Their Potential Applications in Dye-Sensitized Solar Cells -- 2.1 Introduction -- 2.2 Materials and Methods -- 2.2.1 Materials -- 2.2.2 Photocatalyst Synthesis Methods -- 2.2.3 Prepared Sample Characterization -- 2.3 Results and Discussion$7Generated by AI. 330 $aThis book, 'Materials for Renewable Energy,' edited by Sudheesh K. Shukla and others, explores advancements in materials science for renewable energy applications. It covers topics like the synthesis and application of nanomaterials, hybrid heat pipes, and metal oxide-based catalysts in renewable energy technologies. The book provides a comprehensive overview of the electronic properties of biologically active compounds using quantum chemical methods, as well as the role of conductive metal-organic frameworks (MOFs) in energy applications. It is intended for researchers and professionals in chemical engineering and environmental sciences, aiming to enhance the development of sustainable energy solutions.$7Generated by AI. 606 $aMaterials science$7Generated by AI 606 $aRenewable energy sources$7Generated by AI 615 0$aMaterials science 615 0$aRenewable energy sources 700 $aShukla$b Sudheesh K$01753259 701 $aHussain$b Chaudhery Mustansar$0975260 701 $aPatra$b Santanu$01753260 701 $aChoudhary$b Meenakshi$01753261 801 0$bMiAaPQ 801 1$bMiAaPQ 801 2$bMiAaPQ 906 $aBOOK 912 $a9910877098203321 996 $aElectrocatalytic Materials for Renewable Energy$94189088 997 $aUNINA