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Computational Modeling of Homogeneous Catalysis

Posted By: AvaxGenius

Date: 28 Feb 2024 13:59:04

This book presents an updated account on the status of the computational modeling of homogeneous catalysis at the beginning of the 21 st century. The development of new methods and the increase of computer power have opened up enormously the reliability of the calculations in this field, and a number of research groups from around the world have seized this opportunity to expand enormously the range of applications. This text collects a good part of their work.

Organometallic Chemistry Catalysis Physical Chemistry Chemistry Inorganic Chemistry Organic Chemistry Science Science

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Solar Light-to-Hydrogenated Organic Conversion: Heterogeneous Photocatalysts

Posted By: AvaxGenius

Date: 5 Jan 2024 03:33:46

This book highlights the promising photocatalytic methods for synthesizing organic chemicals by simultaneously degrading the toxicity of raw substances used for organic synthesis. It presents various semiconducting materials with high catalytic activities in hydrogen evolution reactions (HERs) and hydrogenation reactions, as well as the material characterizations for identifying semiconductor photocatalysts. The focus is on understanding the hydrogen dissociation and activation of substances in the process of hydrogenation and the fabrication of nanostructured catalysts with desired activity and selectivity. Recent works show photocatalytic hydrogenation reactions with in situ generated H+ on catalyst surfaces utilizing initial chemicals such as nitrophenol, nitrobenzene, azobenzene, and benzene for valorization. In addition, the photocatalytic valorization of waste glycerol is also discussed. Besides the hydrogenation reactions, the reduction of oxygen to form H2O2 can be done with a photocatalytic method in atmospheric conditions. Some related perspectives and outlooks are also discussed for possible future development.

Science Semiconducting photocatalysts Energy Materials Catalysis Nanoscale Science Technology Inorganic Chemistry Organic Chemistry Chemistry

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Chemical Rocket Propulsion: A Comprehensive Survey of Energetic Materials (Repost)

Posted By: AvaxGenius

Date: 15 Oct 2023 14:44:31

Chemical Rocket Propulsion: A Comprehensive Survey of Energetic Materials (Repost)

Developed and expanded from the work presented at the New Energetic Materials and Propulsion Techniques for Space Exploration workshop in June 2014, this book contains new scientific results, up-to-date reviews, and inspiring perspectives in a number of areas related to the energetic aspects of chemical rocket propulsion. This collection covers the entire life of energetic materials from their conceptual formulation to practical manufacturing; it includes coverage of theoretical and experimental ballistics, performance properties, as well as laboratory-scale and full system-scale, handling, hazards, environment, ageing, and disposal.

Chemical Rocket Propulsion Science Energetic Materials Materials Space Launchers Aerospace Astronautics Physical Chemistry Catalysis

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Design, Construction and Research Application of a Differential Electrochemical Mass Spectrometer (DEMS)

Posted By: AvaxGenius

Date: 25 Sep 2023 07:17:17

Design, Construction and Research Application of a Differential Electrochemical Mass Spectrometer (DEMS) by Sean James Ashton
English | PDF | 2012 | 234 Pages | ISBN : 3642305490 | 7.1 MB

Sean Ashton's doctoral thesis, which he finished at the Technical University in Munich, describes the challenge of constructing a Differential Electrochemical Mass Spectrometer instrument (DEMS). DEMS combines an electrochemical cell with mass spectrometry via a membrane interface, allowing gaseous and volatile electrochemical reaction species to be monitored online. The thesis carefully introduces the fuel cell electrocatalyst development concerns before reviewing the pertinent literature on DEMS. This is followed by the presentation and discussion of the new extended design, including a thorough characterization of the instrument. The capabilities of the new setup are demonstrated in two research studies: The methanol oxidation reaction on Pt and PtRu catalysts, and the electrochemical corrosion of fuel cell catalyst supports. Despite both topics having long since been studied, new insights can be obtained through careful investigations with the new DEMS instrument that are of great, general interest. The thesis and the instrument thus show the way for future investigations in the field.

Science Vacuum Pumping Electrochemistry Mass Spectrometry Catalysis

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Iron-Catalyzed C-H/C-H Coupling for Synthesis of Functional Small Molecules and Polymers

Posted By: AvaxGenius

Date: 26 Jul 2023 03:40:21

This thesis describes the development of iron-catalyzed thienyl C–H/C–H coupling. This is applied to the synthesis of highly conjugated and electron-rich thiophene compounds of interest in materials science by utilization of low redox potential of iron in combination with a mild oxalate oxidant.

Science Iron Catalysis C–H C–H Coupling Thiophene Materials Organic Electronics Organometallic Chemistry Chemical Synthesis Catalysis Materials Polymer Synthesis

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Heterogeneous Catalysis

Posted By: arundhati

Date: 16 Jun 2023 01:58:56

Engineering & Transportation Engineering Catalysis Heterogeneous

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Alkane C-H Activation by Single-Site Metal Catalysis

Posted By: Jeembo

Date: 10 May 2023 14:29:38

Alkane C-H Activation by Single-Site Metal Catalysis by Pedro J. Pérez
English | 2012 | ISBN: 9048136970 | 270 Pages | PDF | 22.1 MB

Over the past decade, much research effort has been devoted to the design and synthesis of new reagents and catalysts that can influence carbon-hydrogen bond activation, mainly because of the prospect that C-H activation could enable the conversion of cheap and abundant alkanes into valuable functionalized organic compounds.

Catalysis Alkane Physics Chemystry

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Copper(I)-Catalyzed Stereoselective Borylation Reactions: Multisubstituted Alkenyl and Allylic Boronates

Posted By: AvaxGenius

Date: 30 Apr 2023 10:23:52

This book focuses on the development of novel functionalized organoboron compounds and those synthetic methods. High degrees of chemo-, regio-, and stereoselectivities of the borylation reactions are attained through catalyst design and optimization. Furthermore, the selectivity-determining mechanisms are analyzed with state-of-the-art DFT and other computational methods.

Science Borylation Reaction Copper(I) catalysis Stereoselective reaction selectivity Organometallic Chemistry Chemical Synthesis Catalysis Reaction Mechanisms Natural Products Medicinal Chemistry Chemistry

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Basic Principles in Applied Catalysis

Posted By: Jeembo

Date: 30 Mar 2023 13:50:34

Basic Principles in Applied Catalysis by Manfred Baerns
English | 2004 | ISBN: 3642073107 | 558 Pages | PDF | 15.6 MB

Written by a team of internationally recognized experts, this book addresses the most important types of catalytic reactions and catalysts as used in industrial practice.

Catalysis Catalytic Reaction Engineering

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"Covalent Organic Frameworks" ed. by Yanan Gao, Fei Lu

Posted By: exLib

Date: 25 Mar 2023 14:21:59

"Covalent Organic Frameworks" ed. by Yanan Gao, Fei Lu
ITexLi | 2023 | ISBN: 1803569603 9781803569604 180356959X 9781803569598 1803569611 9781803569611 | 110 pages | PDF | 22 MB

This book examines the historic achievement of covalent organic frameworks (COFs), providing clear and comprehensive guidance for researchers on their structural design, synthetic protocols and functional exploration.

Science Mathematics Physics Engineering Biology Chemistry Genetics Medicine Health Business Organic Chemistry Catalysis Photocatalysis Oncotherapy Biotechnology

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Handbook of Nanocomposite Supercapacitor Materials IV: Next-Generation Supercapacitors

Posted By: AvaxGenius

Date: 24 Mar 2023 01:46:35

This book covers next-generation nanocomposite supercapacitor materials. It deals with a wide range of emerging and sustainable supercapacitors based on, e.g., low-dimensional materials including transition metal oxides, carbons, Mxenes, etc., and metal-organic frameworks. Additionally, it features up-to-date coverage of advanced supercapacitors such as 3D printing, atomic layer deposition, recycling, quantum, on-chip, shape memory, self-healing, and micro-scale supercapacitors.

Science Micro Supercapacitor Supercapacitor Smart Supercapacitor Electrochromic Supercapacitor Li-Based Supercapacitor Magnetoelectric Supercapacitor Scalable Supercapacitor Thermoelectric Supercapacitor Transparent Supercapacitor Quantum Supercapacitor Piezoelectric Supercapacitor Chemistry Materials Science Supercapacitors Composites Two-dimensional Materials Materials for Energy Catalysis Polymers Nanoscale Design Synthesis

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Organocatalytic Dynamic Kinetic Resolution

Posted By: readerXXI

Date: 8 Jan 2023 09:50:40

Science Chemistry Catalysis

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Organocatalytic Dynamic Kinetic Resolution

Posted By: readerXXI

Date: 2 Jan 2023 22:51:08

Sciense Chemistry Catalysis

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Hybrid Nanomaterials: Biomedical, Environmental and Energy Applications

Posted By: AvaxGenius

Date: 3 Oct 2022 01:38:20

Hybrid Nanomaterials: Biomedical, Environmental and Energy Applications by Komal Rizwan, Muhammad Bilal, Tahir Rasheed, Tuan Anh Nguyen
English | PDF | 2022 | 508 Pages | ISBN : 9811945373 | 15.1 MB

This book elaborates on the fabrication of organic-inorganic hybrid nanomaterials, their advantages, self-assembly and their applications in diverse fields of energy, biotechnology, biomedical and environment. The contents provide insight into tools, tricks and challenges associated with techniques of fabrication and future challenges and risks. This book also discusses the properties of modern hybrid nanomaterials and their performance, durability, reproducibility and sensitivity. It will be useful for students and researchers in the area of nanotechnology, science, engineering and environmental chemistry. This volume will also be useful for researchers and professionals working on nanohybrid materials.

Science Nanomaterials Environmental Applications Biomedical Applications Electrochemical Biosensors Hybrid Nanomaterials Chemistry Nanotechnology Materials for Energy Catalysis Biomaterials Materials for Devices Material Science

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Harvesting Solar Energy: Efficient Methods and Materials Using Cascaded Solar Cells

Posted By: AvaxGenius

Date: 26 Jul 2022 17:06:48

This book deals with existing technologies of solar energy conversion as well as novel methods under consideration in academic and commercial R&D sites. The experimental results presented in the work are well crafted by both analytical and first-principle numerical simulations. The book highlights the real potential for economically justified use of solar energy at every household and/or commercial solar farms.

Science Solar Solar Energy Harvesting Solar Energy Solar Cells Materials Energy Catalysis Photovoltaics Optical Communications RF Engineering Microwaves Semiconductors Energy Harvesting

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